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 | |
|---|---|---|---|---|
| ▸ | MMP13 known ✓ | P45452 | 2/20 | 0.34 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.34 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.34 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.34 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN12 | Q05209 | 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 | |
|---|---|---|---|---|
| SCHEMBL9529107 | 0.99 | PTPN7 (0.45) | PTPN7DUSP3PTPN12PTPN22GPR3 | |
| SCHEMBL9535916 | 0.86 | PTPN7 (0.40) | PTPN7DUSP3PTPN12PTPN22GPR3 | |
| SCHEMBL9779319 | 0.84 | SLC2A1 (0.41) | PTPN7DUSP3PTPN12PTPN22SLC2A1 | |
| Hydrochloric Acid SCHEMBL10679660 | 0.83 | HTT (0.41) | SLC2A1CYP1A2CYP2D6ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL10986411 | 0.83 | HTT (0.41) | SLC2A1CYP1A2CYP2D6ALDH1A1HTT | |
| SCHEMBL9536796 | 0.81 | SLC2A1 (0.47) | PTPN7DUSP3PTPN12PTPN22SLC2A1 | |
| SCHEMBL10682965 | 0.81 | SLC2A1 (0.40) | SLC2A1CYP1A2CYP2D6ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL9754640 | 0.79 | SLC2A1 (0.36) | SLC2A1ALDH1A1MAPTPDCD1CD274 | |
| SCHEMBL9779052 | 0.79 | SLC2A1 (0.49) | PTPN7DUSP3PTPN12PTPN22SLC2A1 | |
| Hydrochloric Acid SCHEMBL10547397 | 0.79 | KMT2A (0.43) | SLC2A1CYP1A2CYP2D6ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0183439-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-02-03 | — | — | EP | disclosed |
| US-5075455-A | Microbiocides, antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5049581-A | Dibenzofurans having anti-tumor activity | BURROUGHS WELLCOME CO. (US) | 1991-09-17 | — | — | US | disclosed |
| US-5017600-A | Antitumor | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5008286-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4970227-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1990-11-13 | — | — | US | disclosed |
| US-4965285-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-10-23 | — | — | US | disclosed |
| US-4866070-A | ANTITUMOR AGENT | BURROUGHS WELLCOME CO. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0183439-A2 | Polycyclic compounds, their preparation and use and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-06-04 | — | — | EP | disclosed |