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 | 2/20 | 0.61 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.58 |
| ▸ | HDAC3 known ✓ | O15379 | 2/20 | 0.54 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC2 known ✓ | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TERT | O14746 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5718053 | 0.98 | GAA (0.63) | GAAALDH1A1CA1CA2HDAC3 | |
| SCHEMBL10923232 | 0.86 | CA1 (0.66) | GAAALDH1A1CA1CA2KMT2A | |
| SCHEMBL1753925 | 0.83 | GAA (0.70) | GAAALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL7095442 | 0.82 | HDAC3 (0.62) | GAAALDH1A1HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL6930371 | 0.82 | CA1 (0.59) | CA1CA2KMT2ASMN1; SMN2TERT | |
| Hydrochloric Acid SCHEMBL4584499 | 0.80 | CA1 (0.58) | CA1CA2KMT2ATERTMEN1 | |
| SCHEMBL11575897 | 0.80 | ALDH1A1 (0.62) | GAAALDH1A1CA1CA2HDAC3 | |
| Hydrochloric Acid SCHEMBL28942128 | 0.80 | POLB (0.70) | GAAALDH1A1CA1CA2HDAC3 | |
| Hydrochloric Acid SCHEMBL2990016 | 0.80 | ALDH1A1 (0.59) | GAAALDH1A1CA1CA2KMT2A | |
| SCHEMBL410774 | 0.80 | ALDH1A1 (0.64) | GAAALDH1A1CA1CA2HDAC3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111253326-B | 2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof | 河北美信医药科技有限公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-111253326-A | 2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof | 河北美信医药科技有限公司 | 2020-06-09 | — | — | CN | disclosed |
| EP-1318977-B1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF | BAYER HEALTHCARE AG (DE) | 2006-12-06 | — | — | EP | disclosed |
| US-7074780-B2 | Substituted phenylcyclohexanecarboxamides and their use | BAYER AKTIENGESELLSCHAFT (DE) | 2006-07-11 | — | — | US | disclosed |
| US-6984642-B1 | Substituted phenylcyclohexane carboxylic acid amides and their use as adenosine uptake inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2006-01-10 | — | — | US | disclosed |
| EP-1187812-B1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THEIR USE AS ADENOSINE UPTAKE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2005-09-07 | — | — | EP | disclosed |
| US-20050054637-A1 | Substituted piperazine cyclohexane carboxilic acid amides and the use thereof | PASCAL ENGINEERING CORPORATION (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1436273-A1 | SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF | Bayer HealthCare AG (DE) | 2004-07-14 | — | — | EP | disclosed |
| US-20040122004-A1 | Substituted phenylcyclohexanecarboxamides and their use | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-24 | — | — | US | disclosed |
| US-6649616-B2 | For therapy and prophylaxis of cardiovascular disorders caused by ischaemia | BAYER AKTIENGESELLSCHAFT (DE) | 2003-11-18 | — | — | US | disclosed |
| EP-1318977-A1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF | Bayer Aktiengesellschaft (DE) | 2003-06-18 | — | — | EP | disclosed |
| WO-2003033484-A1 | SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF | BAYER HEALTHCARE AG (DE) | 2003-04-24 | — | — | WO | disclosed |
| US-20030008881-A1 | Substituted phenylcyclohexanecarboxamides and their use | BAYER AKTIENGESELLSCHAFT (DE) | 2003-01-09 | — | — | US | disclosed |
| EP-1187812-A2 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THEIR USE AS ADENOSINE UPTAKE INHIBITORS | Bayer Aktiengesellschaft (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2002020472-A1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |
| WO-2000073274-A2 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THEIR USE AS ADENOSINE UPTAKE INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | 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-20030008881-A1 | Substituted phenylcyclohexanecarboxamides and their use | TNNI3, PAH, P4HA1 | GAA 1195/4885CA2 798/4885HDAC3 334/4885 |
| US-20050054637-A1 | Substituted piperazine cyclohexane carboxilic acid amides and the use thereof | AADAC, HCAR2, EGLN2 | GAA 1691/4885CA2 501/4885HDAC3 119/4885 |
| US-20040122004-A1 | Substituted phenylcyclohexanecarboxamides and their use | TNNI3, PAH, P4HA1 | GAA 1195/4885CA2 798/4885HDAC3 334/4885 |
“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.