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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.51 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.51 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.51 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.42 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.41 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.41 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.41 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.41 |
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.41 |
| ▸ | PDGFRA known ✓ | P16234 | 1/20 | 0.41 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.41 |
| ▸ | PRKCQ known ✓ | Q04759 | 1/20 | 0.41 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.41 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 0.41 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL365219 | 0.98 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL28243088 | 0.92 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11685187 | 0.81 | LMNA (0.55) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11686957 | 0.81 | LMNA (0.55) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28000604 | 0.80 | LMNA (0.68) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL11620447 | 0.79 | CYP2D6 (0.54) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28000434 | 0.79 | LMNA (0.67) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL11622509 | 0.78 | SLC6A2 (0.52) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL15302870 | 0.78 | CYP2D6 (0.68) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL30080245 | 0.78 | ALDH1A1 (0.48) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776100-B1 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | UNIV NEW YORK (US) | 2016-08-31 | — | — | EP | disclosed |
| US-9018259-B2 | Treatment of cancer using benzoic acid derivatives | NEW YORK UNIVERSITY (US) | 2015-04-28 | — | — | US | disclosed |
| US-20120329861-A1 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | NEW YORK UNIVERSITY (US) | 2012-12-27 | — | — | US | disclosed |
| US-8198328-B2 | Treatment of cancer using benzoic acid derivatives | NEW YORK UNIVERSITY (US) | 2012-06-12 | — | — | US | disclosed |
| EP-1776100-A4 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | UNIV NEW YORK (US) | 2007-12-26 | — | — | EP | disclosed |
| EP-1776100-A2 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | NEW YORK UNIVERSITY (US) | 2007-04-25 | — | — | EP | disclosed |
| US-20050209334-A1 | method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. | NEW YORK UNIVERSITY (US) | 2005-09-22 | — | — | US | disclosed |
| WO-2005070024-A2 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | NEW YORK UNIVERSITY (US) | 2005-08-04 | — | — | 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 (2 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-20050209334-A1 | method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. | AHR, TYR, CYP4X1 | SLC6A2 957/4885PDE4A 4036/4885SLC6A4 1557/4885 |
| US-20120329861-A1 | TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES | AHR, TYR, CYP4X1 | SLC6A2 928/4885PDE4A 3985/4885SLC6A4 1486/4885 |
“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.