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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.50 |
| ▸ | OPRD1 known ✓ | P41143 | 2/20 | 0.50 |
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2298604 | 0.81 | OPRM1 (0.56) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL6432366 | 0.78 | OPRM1 (0.57) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL2297069 | 0.76 | TDP1 (0.50) | OPRM1POLB | |
| SCHEMBL19972777 | 0.72 | OPRM1 (0.54) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL19972775 | 0.72 | OPRM1 (0.54) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL10779724 | 0.72 | SMYD3 (0.47) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL6435360 | 0.71 | KMT2A (0.42) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL8268852 | 0.71 | KMT2A (0.56) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL25083942 | 0.71 | OPRM1 (0.52) | OPRM1OPRD1OPRK1KMT2AMEN1 | |
| SCHEMBL31037193 | 0.70 | OPRM1 (0.57) | OPRM1OPRD1OPRK1KMT2AMEN1 |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150072942-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-03-12 | — | — | US | disclosed |
| US-20130310320-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-11-21 | — | — | US | disclosed |
| US-8378099-B2 | Boronic ester and acid compounds, synthesis and uses | MILLENNIUM PHARMACUETICALS, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20110306560-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-12-15 | — | — | US | disclosed |
| US-8003791-B2 | Boronic ester and acid compounds, synthesis and uses | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090247731-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-10-01 | — | — | US | disclosed |
| EP-0788360-B3 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | MILLENNIUM PHARM INC (US) | 2009-08-12 | — | — | EP | disclosed |
| US-7531526-B2 | Boronic ester and acid compounds, synthesis and uses | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-05-12 | — | — | US | disclosed |
| EP-1997823-A1 | Boronic ester and acid compounds, synthesis and uses | Millennium Pharmaceuticals, Inc. (US) | 2008-12-03 | — | — | EP | disclosed |
| EP-1627880-B1 | Boronic ester and acid compounds, synthesis and uses | MILLENNIUM PHARM INC (US) | 2008-10-15 | — | — | EP | disclosed |
| US-6548668-B2 | Stabilizer for proteins | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| US-20020173488-A1 | Boronic Ester and acid compounds, synthesis and uses | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-11-21 | — | — | US | disclosed |
| US-6465433-B1 | SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION | MILLENNIUM PHARMACEUTICALS, INC. | 2002-10-15 | — | — | US | disclosed |
| US-6297217-B1 | TREATMENT OF CANCER WITH PROTEASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2001-10-02 | — | — | US | disclosed |
| US-6083903-A | REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL | LEUKOSITE, INC. (US) | 2000-07-04 | — | — | US | disclosed |
| US-6066730-A | Boronic ester and acid compounds, synthesis and uses | PROSCRIPT, INC. | 2000-05-23 | — | — | US | disclosed |
| US-5780454-A | Boronic ester and acid compounds | PROSCRIPT, INC. (US) | 1998-07-14 | — | — | US | disclosed |
| EP-0788360-A4 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | PROSCRIPT INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0788360-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | PROSCRIPT, INC. (US) | 1997-08-13 | — | — | EP | disclosed |
| WO-1996013266-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | PROSCRIPT, INC. (US) | 1996-05-09 | — | — | 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 (5 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-20150072942-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | BCL6, BCAP31, CD79B | OPRM1 4517/4885OPRD1 4486/4885OPRK1 3107/4885 |
| US-20110306560-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | BCL6, BCAP31, CD79B | OPRM1 4517/4885OPRD1 4486/4885OPRK1 3107/4885 |
| US-20020173488-A1 | Boronic Ester and acid compounds, synthesis and uses | BCL6, BCAP31, CD79B | OPRM1 4433/4885OPRD1 4442/4885OPRK1 3057/4885 |
| US-20090247731-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | BCL6, BCAP31, CD79B | OPRM1 4517/4885OPRD1 4486/4885OPRK1 3107/4885 |
| US-20130310320-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | BCL6, BCAP31, CD79B | OPRM1 4517/4885OPRD1 4486/4885OPRK1 3107/4885 |
“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.