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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.36 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.36 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.33 |
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.33 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.42 |
| ▸ | ANPEP | P15144 | 7/20 | 0.40 |
| ▸ | RNPEP | Q9H4A4 | 4/20 | 0.40 |
| ▸ | DNPEP | Q9ULA0 | 2/20 | 0.40 |
| ▸ | LAP3 | P28838 | 2/20 | 0.37 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL56160 | 1.00 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Hydrochloric Acid SCHEMBL56161 | 1.00 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL1911122 | 0.98 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL4595827 | 0.98 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL4594704 | 0.98 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Trifluoroacetic Acid SCHEMBL2494882 | 0.85 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL18774975 | 0.78 | SLC7A5 (0.50) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL18774973 | 0.77 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL24049287 | 0.77 | ANPEP (0.45) | SLC7A5ANPEPRNPEPDNPEPMMP1 | |
| SCHEMBL5665430 | 0.77 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3072886-B1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |
| EP-2771327-B1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-11-16 | — | — | EP | disclosed |
| EP-2718266-B9 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2016-09-28 | — | — | EP | disclosed |
| EP-3072886-A1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2016-09-28 | — | — | EP | disclosed |
| US-9403808-B2 | Pyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-08-02 | — | — | US | disclosed |
| EP-2718266-B1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2016-05-25 | — | — | EP | disclosed |
| US-20160137606-A1 | NOVEL PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (US) | 2016-05-19 | — | — | US | disclosed |
| US-9321727-B2 | Pyridine derivatives as agonists of the CB2 receptor | HOFFMANN-LA ROCHE INC. (US) | 2016-04-26 | — | — | US | disclosed |
| US-9290451-B2 | — | — | 2016-03-22 | — | — | US | disclosed |
| EP-2771327-A1 | NOVEL PYRAZINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-03 | — | — | EP | disclosed |
| EP-2718266-A1 | PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-04-16 | — | — | EP | 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-20130109665-A1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | disclosed |
| WO-2013060751-A1 | NOVEL PYRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-02 | — | — | WO | disclosed |
| US-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-03-21 | — | — | US | disclosed |
| WO-2013018929-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-07 | — | — | WO | disclosed |
| WO-2012168350-A1 | PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-13 | — | — | WO | 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 (5 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 | MMP1 251/4885MMP8 156/4885MMP13 387/4885 |
| US-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | ESRRA, ESRRB, ESR2 | MMP1 4754/4885MMP8 3641/4885MMP13 4643/4885 |
| US-20100029686-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | SERPINB1, PEPD, PREP | MMP1 251/4885MMP8 156/4885MMP13 387/4885 |
| US-20130109665-A1 | NOVEL PYRAZINE DERIVATIVES | CNR2, CNR1, GPR174 | MMP1 4877/4885MMP8 4865/4885MMP13 4868/4885 |
| US-20160137606-A1 | NOVEL PYRIDINE DERIVATIVES | NDUFS6, NDUFS4, NDUFV1 | MMP1 4849/4885MMP8 4634/4885MMP13 4850/4885 |
“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.