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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 known ✓ | O95977 | 2/20 | 0.50 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 8/20 | 0.55 |
| ▸ | IL1RN | P18510 | 1/20 | 0.53 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.53 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7119787 | 0.99 | CTSK (0.56) | CTSKIL1RNERAP2ERAP1CTSS | |
| Hydrochloric Acid SCHEMBL7581883 | 0.96 | CTSK (0.52) | CTSKIL1RNERAP2ERAP1CTSS | |
| SCHEMBL27824395 | 0.91 | CTSK (0.58) | CTSKCTSSCTSLCTSBS1PR4 | |
| SCHEMBL11209394 | 0.91 | CTSK (0.58) | CTSKCTSSCTSLCTSBS1PR4 | |
| Hydrochloric Acid SCHEMBL11681832 | 0.90 | LTA4H (0.56) | CTSKCTSB | |
| SCHEMBL11680813 | 0.89 | LTA4H (0.57) | CTSKCTSB | |
| SCHEMBL11683261 | 0.89 | LTA4H (0.57) | CTSKCTSB | |
| SCHEMBL20881521 | 0.89 | LTA4H (0.57) | CTSKCTSB | |
| SCHEMBL22475577 | 0.89 | LTA4H (0.57) | CTSKCTSB | |
| SCHEMBL11682299 | 0.89 | LTA4H (0.57) | CTSKCTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-20030133927-A1 | Conjugates useful in the treatment of prostate cancer | DEFEO-JONES DEBORAH (US) | 2003-07-17 | — | — | US | disclosed |
| US-6552166-B1 | Oligopeptide is mixed with a salt of the anthracycline antibiotic in the presence of a carboxyl activating agent and a base | MERCK & CO., INC. | 2003-04-22 | — | — | US | disclosed |
| EP-1228089-A2 | SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER | Merck & Co., Inc. (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1225918-A2 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | Merck & Co., Inc. (US) | 2002-07-31 | — | — | EP | disclosed |
| US-20020041880-A1 | Method of treating cancer | DEFEO-JONES DEBORAH (US) | 2002-04-11 | — | — | US | disclosed |
| US-20020042375-A1 | Method of treating cancer | HEIMBROOK DAVID C (US) | 2002-04-11 | — | — | US | disclosed |
| US-6355611-B1 | SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001030804-A2 | SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER | MERCK & CO., INC. (US) | 2001-05-03 | — | — | WO | disclosed |
| WO-2001028593-A2 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | MERCK & CO., INC. (US) | 2001-04-26 | — | — | 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-20030133927-A1 | Conjugates useful in the treatment of prostate cancer | BCL2, BCL2L10, BCL2L13 | S1PR4 4023/4885S1PR1 4107/4885CTSK 753/4885 |
| US-20020042375-A1 | Method of treating cancer | ACP3, KLK3, FOLH1 | S1PR4 1273/4885S1PR1 1178/4885CTSK 624/4885 |
| US-20020041880-A1 | Method of treating cancer | ACP3, FOLH1, KLK3 | S1PR4 690/4885S1PR1 739/4885CTSK 276/4885 |
“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.