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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.46 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3213616 | 1.00 | LMNA (0.51) | LMNACTSDPOLBROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL14151731 | 1.00 | LMNA (0.51) | LMNACTSDPOLBROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL6604935 | 0.98 | LMNA (0.50) | LMNACTSDPOLBROCK2ROCK1 | |
| SCHEMBL3638914 | 0.98 | LMNA (0.53) | LMNACTSDPOLBROCK2ROCK1 | |
| SCHEMBL1515665 | 0.98 | LMNA (0.53) | LMNACTSDPOLBROCK2ROCK1 | |
| SCHEMBL3743441 | 0.98 | LMNA (0.53) | LMNACTSDPOLBROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL11474237 | 0.89 | TAAR1 (0.54) | LMNATAAR1 | |
| Dimethylamine SCHEMBL6726772 | 0.83 | POLB (0.59) | LMNAPOLBROCK2ROCK1BAZ1A | |
| Hydrochloric Acid SCHEMBL8010089 | 0.82 | POLB (0.63) | LMNAPOLBROCK2ROCK1BAZ1A | |
| Hydrochloric Acid SCHEMBL11480914 | 0.82 | KDM4E (0.40) | LMNAALDH1A1TAAR1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |
| US-20220177515-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH THE ZOLINIUM AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2022-06-09 | — | — | US | disclosed |
| EP-3954692-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-02-16 | — | — | EP | disclosed |
| CN-111793025-A | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2020-10-20 | — | — | CN | disclosed |
| WO-2020207279-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF | 中国科学院上海药物研究所 | 2020-10-15 | — | — | WO | disclosed |
| US-20130303547-A1 | HCV Protease Inhibitors and Uses Thereof | ABBVIE INC (US) | 2013-11-14 | — | — | US | disclosed |
| US-8497275-B2 | HCV protease inhibitors and uses thereof | ABBVIE INC. (US) | 2013-07-30 | — | — | US | disclosed |
| US-20100029686-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2008074035-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-06-19 | — | — | 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 (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-20130303547-A1 | HCV Protease Inhibitors and Uses Thereof | SERPINB1, PEPD, PREP | ROCK2 4230/4885ROCK1 3385/4885HDAC3 1564/4885 |
| US-20100029686-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | SERPINB1, PEPD, PREP | ROCK2 4230/4885ROCK1 3385/4885HDAC3 1564/4885 |
| US-20220177515-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH THE ZOLINIUM AND USE THEREOF | PTMS, SLC1A5, ANPEP | ROCK2 2503/4885ROCK1 1560/4885HDAC3 4668/4885 |
“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.