Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2189336 | 0.98 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL11681830 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL27836744 | 0.81 | TSHR (0.43) | ALDH1A1MAPK1MAPTHPGDCA1 | |
| SCHEMBL21814404 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL3117085 | 0.80 | CA1 (0.40) | ALDH1A1L3MBTL1KMT2ACA1CA2 | |
| SCHEMBL16285813 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL8377212 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL19726788 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL14586581 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL8377215 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1MAPTHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190247354-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2019-08-15 | — | — | US | disclosed |
| US-10206897-B2 | Creatine ester anti-inflammatory compounds and formulations | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2019-02-19 | — | — | US | disclosed |
| US-20180153844-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2018-06-07 | — | — | US | disclosed |
| US-9833427-B2 | Creatine ester anti-inflammatory compounds and formulations | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2017-12-05 | — | — | US | disclosed |
| US-20170202241-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2017-07-20 | — | — | US | disclosed |
| CN-102153587-B | Method for synthesizing dibenzyloxy-phosphoryl creatinine | NANJING EAST SUNSCREEN PHARMACEUTICAL CO LTD | 2013-01-23 | — | — | CN | disclosed |
| US-20110224174-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2011-09-15 | — | — | US | disclosed |
| CN-102153587-A | Method for synthesizing dibenzyloxy-phosphoryl creatinine | NANJING EAST SUNSCREEN PHARMACEUTICAL CO LTD | 2011-08-17 | — | — | CN | disclosed |
| US-20110172306-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | VENNERSTROM JONATHAN L | 2011-07-14 | — | — | US | disclosed |
| US-20090137669-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF | 2009-05-28 | — | — | US | disclosed |
| US-20070203076-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | VENNERSTROM JONATHAN L | 2007-08-30 | — | — | US | disclosed |
| EP-1324760-B1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | UNIV NEBRASKA (US) | 2007-06-20 | — | — | EP | disclosed |
| EP-1688139-A1 | Creatine ester pronutrient compounds and formulations | Board of Regents of the University of Nebraska (US) | 2006-08-09 | — | — | EP | disclosed |
| EP-1324760-A4 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | REGENTS OFTHE UNIVERSITY OF NE (US) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004071406-A2 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2004-08-26 | — | — | WO | disclosed |
| US-20030212130-A1 | Creatine ester anti-inflammatory compounds and formulations | NEBRASKA, UNIVERSITY OF MEDICAL CENTER | 2003-11-13 | — | — | US | disclosed |
| US-20030212136-A1 | Creatine ester pronutrient compounds and formulations | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2003-11-13 | — | — | US | disclosed |
| EP-1324760-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | Board of Regents of the University of Nebraska (US) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002022135-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2002-03-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030212130-A1 | Creatine ester anti-inflammatory compounds and formulations | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
| US-20180153844-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
| US-20190247354-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
| US-20170202241-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, PYGM | SLC6A2 1789/4885SLC6A3 2524/4885CA2 3569/4885 |
| US-10206897-B2 | Creatine ester anti-inflammatory compounds and formulations | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
| US-20110172306-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, PYGM | SLC6A2 1789/4885SLC6A3 2524/4885CA2 3569/4885 |
| US-20110224174-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
| US-20070203076-A1 | CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, PYGM | SLC6A2 1789/4885SLC6A3 2524/4885CA2 3569/4885 |
| US-20030212136-A1 | Creatine ester pronutrient compounds and formulations | CKMT1A; CKMT1B, CPT1B, PYGM | SLC6A2 1878/4885SLC6A3 2618/4885CA2 3567/4885 |
| US-20090137669-A1 | CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS | CKMT1A; CKMT1B, CPT1B, CRAT | SLC6A2 3126/4885SLC6A3 3388/4885CA2 901/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.