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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.48 |
| ▸ | TOP1 known ✓ | P11387 | 2/20 | 0.45 |
| ▸ | TOP2A known ✓ | P11388 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 7/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TUBB | P07437 | 1/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9080102 | 0.99 | KDM4E (0.69) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| Hydrochloric Acid SCHEMBL7007780 | 0.91 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL9079640 | 0.90 | KDM4E (0.57) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL7006115 | 0.90 | KDM4E (0.59) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL9079034 | 0.88 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| Hydrochloric Acid SCHEMBL9077638 | 0.88 | KDM4E (0.53) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL9079578 | 0.88 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL9278869 | 0.87 | KDM4E (0.54) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL9079172 | 0.87 | KDM4E (0.54) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| SCHEMBL7006577 | 0.86 | KDM4E (0.52) | KDM4EALDH1A1HPGDHSD17B10ADRA2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0614664-B2 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-5889009-A | ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-30 | — | — | US | disclosed |
| EP-0614664-B1 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5703081-A | CELL ADHESION INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-30 | — | — | US | disclosed |
| US-5519024-A | CELL ADHESION INHIBITOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-21 | — | — | US | disclosed |
| EP-0614664-A1 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-09-14 | — | — | EP | disclosed |