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 |
| ▸ | MMP2 | P08253 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | FADS1 | O60427 | 1/20 | 0.37 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3378787 | 0.98 | MMP2 (0.67) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| Bromide SCHEMBL7636378 | 0.96 | MMP2 (0.64) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| SCHEMBL7301332 | 0.82 | THRB (0.50) | MMP2ALDH1A1HSD17B10KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL5110306 | 0.81 | MMP2 (0.96) | MMP2ALDH1A1HSD17B10KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL2647010 | 0.81 | MMP2 (0.45) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| SCHEMBL720049 | 0.80 | MMP2 (0.72) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| 2-Aminoacetophenone SCHEMBL349545 | 0.80 | ALDH1A1 (0.57) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| Hydrochloric Acid SCHEMBL27547428 | 0.79 | ALDH1A1 (0.67) | MMP2ALDH1A1HSD17B10CFTRKDM4E | |
| SCHEMBL204392 | 0.78 | MMP2 (1.00) | MMP2ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL29547161 | 0.78 | MMP2 (1.00) | MMP2ALDH1A1HSD17B10KDM4EMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670835-B1 | PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 2003-03-12 | — | — | EP | disclosed |
| EP-0634409-B1 | Process of producing 2-cyano-4-oxo-4H-benzopyran compounds | SUMITOMO CHEMICAL CO (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-5679859-A | TREATING 3-AMINO-2-HYDROXYACETOPHENONE OR HYDROGEN HALIDE SALT THEREOF WITH SULFURIC ACID IN SOLVENT TO IMPROVE BULK DENSITY AND FLOW PROPERTIES | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| US-5659051-A | Process of producing 2-cyano-4-oxo-4H-benzopyran compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-08-19 | — | — | US | disclosed |
| US-5616721-A | Process for preparing benzopyran compounds | SMITHKLINE BEECHAM PLC (GB) | 1997-04-01 | — | — | US | disclosed |
| US-5596103-A | Process for preparing benzopyran compounds | SMITHKLINE BEECHAM PLC (GB) | 1997-01-21 | — | — | US | disclosed |
| US-5587483-A | Process for preparing tetrazol-5-yl substituted benzopyran compounds | SMITHKLINE BEECHAM PLC (GB) | 1996-12-24 | — | — | US | disclosed |
| EP-0670835-A1 | PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 1995-09-13 | — | — | EP | disclosed |
| EP-0634409-A1 | Process of producing 2-cyano-4-oxo-4H-benzopyran compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-01-18 | — | — | EP | disclosed |
| WO-1994012492-A1 | PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 1994-06-09 | — | — | WO | disclosed |