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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.46 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.46 |
| ▸ | HTR6 known ✓ | P50406 | 2/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 12/20 | 0.48 |
| ▸ | CTRC | Q99895 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553101 | 0.99 | F2 (0.49) | F2CTRCSLC6A2SLC6A4HTR3A | |
| Hydrochloric Acid SCHEMBL7496883 | 0.92 | SLC6A2 (0.49) | F2CTRCSLC6A2SLC6A4HTR3A | |
| SCHEMBL7496894 | 0.91 | SLC6A2 (0.50) | F2CTRCSLC6A2SLC6A4HTR3A | |
| SCHEMBL7451123 | 0.81 | F2 (0.47) | F2CTRCSLC6A2SLC6A4HTR3A | |
| SCHEMBL7451365 | 0.80 | F2 (0.67) | F2CTRCSLC6A2SLC6A4HTR3A | |
| SCHEMBL6553019 | 0.80 | F2 (0.73) | F2CTRCF10PRSS2 | |
| SCHEMBL6554465 | 0.80 | F2 (0.55) | F2CTRCF10PRSS2 | |
| Acetic Acid SCHEMBL6552978 | 0.80 | F2 (0.69) | F2CTRCF10PRSS2 | |
| Hydrochloric Acid SCHEMBL7451487 | 0.79 | F2 (0.69) | F2CTRCF10PRSS2HTR6 | |
| Hydrochloric Acid SCHEMBL7435993 | 0.79 | F2 (0.50) | F2CTRCF10PRSS2HTR6 |
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-0883405-B1 | AMIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2004-02-25 | — | — | EP | disclosed |
| US-6414020-B2 | ANTIPROTEOLYTIC AMIDINO OR DERIVATIVE USEFUL FOR TREATING PENCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION | 3- DIMENSIONAL PHARMACEUTICALS, INC. | 2002-07-02 | — | — | US | disclosed |
| US-20010025041-A1 | Amidino protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-27 | — | — | US | disclosed |
| US-6281206-B1 | AMIDINO AND BENZAMIDINO COMPOUNDS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-08-28 | — | — | US | disclosed |
| US-6225302-B1 | Amidino protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-05-01 | — | — | US | disclosed |
| US-6133315-A | ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-10-17 | — | — | US | disclosed |
| US-6034127-A | CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0883405-A4 | AMIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-04-28 | — | — | EP | disclosed |
| EP-0883405-A1 | AMIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997024135-A1 | AMIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-07-10 | — | — | 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 (1 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-20010025041-A1 | Amidino protease inhibitors | CTRL, PEPD, PRSS3 | SLC6A2 4823/4885SLC6A4 3599/4885HTR3A 1692/4885 |
“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.