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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.39 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.37 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12750359 | 0.99 | CYP2C19 (0.43) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL689409 | 0.84 | NPC1 (0.54) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| SCHEMBL10289414 | 0.82 | NPC1 (0.55) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL689155 | 0.81 | ALPL (0.50) | CYP2C19HTTLMNANPC1MAPT | |
| SCHEMBL689356 | 0.81 | HTT (0.41) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| SCHEMBL12750381 | 0.80 | ALPL (0.51) | CYP2C19HTTLMNANPC1MAPT | |
| SCHEMBL14136084 | 0.72 | NPC1 (0.56) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| SCHEMBL688556 | 0.71 | RAB9A (0.46) | CYP2C19HTTLMNAPOLBL3MBTL1 | |
| SCHEMBL12750145 | 0.70 | HTT (0.44) | HTTLMNAPOLBL3MBTL1NPC1 | |
| SCHEMBL687708 | 0.67 | LMNA (0.45) | HTTLMNAPOLBL3MBTL1NPC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2123649-B1 | 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF | JIANGSU SIMCERE PHARMACEUTICAL R & D CO LTD (CN) | 2012-02-29 | — | — | EP | disclosed |
| EP-1953148-B1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-8084621-B2 | 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof | Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) | 2011-12-27 | — | — | US | disclosed |
| US-7915267-B2 | Heterocyclic amide compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-29 | — | — | US | disclosed |
| US-20100160318-A1 | 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof | JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) | 2010-06-24 | — | — | US | disclosed |
| EP-2123649-A1 | 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF | Jiangsu Simcere Pharmaceutical R&D Co., Ltd. (CN) | 2009-11-25 | — | — | EP | disclosed |
| US-20090137603-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| CN-101351453-A | Heterocyclic amide compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-01-21 | — | — | CN | disclosed |
| EP-1996594-A2 | PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-12-03 | — | — | EP | disclosed |
| EP-1953148-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007109093-A2 | PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF | WYETH (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070219183-A1 | Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof | WYETH (US) | 2007-09-20 | — | — | US | 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 (3 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-20100160318-A1 | 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof | PTK2B, DMPK, STK25 | GAA 1305/4885HDAC1 1910/4885HDAC6 1477/4885 |
| US-20090137603-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | MMP2, MMP9, MMP1 | GAA 221/4885HDAC1 34/4885HDAC6 44/4885 |
| US-20070219183-A1 | Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof | DPYD, DUT, TYMP | GAA 2091/4885HDAC1 1573/4885HDAC6 2546/4885 |
“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.