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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.47 |
| ▸ | C1S | P09871 | 3/20 | 0.52 |
| ▸ | PLAU | P00749 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7735938 | 0.99 | C1S (0.53) | C1SPLAUNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6924675 | 0.90 | C1S (0.52) | C1SPLAU | |
| Hydrochloric Acid SCHEMBL6922137 | 0.89 | C1S (0.54) | C1SPLAUHDAC3HDAC4HDAC1 | |
| SCHEMBL7359059 | 0.89 | C1S (0.53) | C1SPLAU | |
| SCHEMBL7736159 | 0.87 | C1S (0.55) | C1SPLAUHDAC3HDAC4HDAC1 | |
| SCHEMBL6926778 | 0.84 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTHDAC3 | |
| SCHEMBL7736168 | 0.81 | PLAU (0.49) | C1SPLAU | |
| Hydrochloric Acid SCHEMBL6925651 | 0.80 | C1S (0.54) | C1SPLAU | |
| Hydrochloric Acid SCHEMBL6921123 | 0.80 | PLAU (0.53) | C1SPLAUSMN1; SMN2 | |
| SCHEMBL7735235 | 0.79 | PLAU (0.54) | C1SPLAUSMN1; SMN2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562840-B1 | Non-peptidic inhibitors of proteolytic enzymes such as urokinase | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | disclosed |
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| US-6492403-B1 | TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |
| EP-1054886-B1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-09-04 | — | — | EP | disclosed |
| US-6403633-B2 | USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-06-11 | — | — | US | disclosed |
| US-20020037915-A1 | Compounds and compositons for treating C1s-mediated diseases and conditions | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-03-28 | — | — | US | disclosed |
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1150979-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-07 | — | — | EP | disclosed |
| US-20010031781-A1 | Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors | ILLIG CARL R (US) | 2001-10-18 | — | — | US | disclosed |
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1054886-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000047578-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |
| WO-1999040088-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-08-12 | — | — | 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-20020037915-A1 | Compounds and compositons for treating C1s-mediated diseases and conditions | C1S, C1R, C9 | HDAC3 1898/4885HDAC4 2757/4885HDAC1 1365/4885 |
| US-20010031781-A1 | Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors | SERPINE1, PRSS3, PRSS2 | HDAC3 893/4885HDAC4 2143/4885HDAC1 793/4885 |
“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.