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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.55 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.52 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.52 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.52 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.52 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.50 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.50 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.37 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1021475 | 0.98 | AKR1B1 (0.54) | ADRA2AGMNNMAPTBLMPMP22 | |
| Hydrochloric Acid SCHEMBL9237437 | 0.87 | BACE1 (0.61) | ADRA2AGMNNMAPTBLMPMP22 | |
| SCHEMBL20548686 | 0.84 | BACE1 (0.63) | MAPTKMT2AHTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL15863064 | 0.79 | PNMT (0.57) | ADRA2AGMNNMAPTBLMPMP22 | |
| Hydrochloric Acid SCHEMBL5297667 | 0.78 | ADRA2A (0.65) | ADRA2AGMNNMAPTBLMPMP22 | |
| SCHEMBL14464764 | 0.77 | AKR1B1 (0.56) | ADRA2AGMNNMAPTBLMPMP22 | |
| SCHEMBL30899396 | 0.77 | PNMT (0.59) | LMNAHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8238578 | 0.77 | PNMT (0.59) | LMNAHTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL3244563 | 0.77 | PKM (0.62) | LMNAHTR3EHTR3BHTR3AHTR3D | |
| Guanfacine SCHEMBL41681 | 0.76 | ADRA2A (0.53) | ADRA2AGMNNMAPTBLMPMP22 |
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-9687476-B2 | Bisaryl-bonded aryltriazolones and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-06-27 | — | — | US | disclosed |
| EP-2539326-B1 | BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF | BAYER IP GMBH (DE) | 2017-05-03 | — | — | EP | disclosed |
| EP-2943495-B1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | SAVIRA PHARMACEUTICALS GMBH (AT) | 2016-12-28 | — | — | EP | disclosed |
| US-20160051518-A1 | BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-02-25 | — | — | US | disclosed |
| EP-2943495-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | Savira Pharmaceuticals GmbH (AT) | 2015-11-18 | — | — | EP | disclosed |
| US-9187466-B2 | Bisaryl-bonded aryltriazolones and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-17 | — | — | US | disclosed |
| CN-103189363-B | Biaryl linked aryl triazolones and uses thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-07-29 | — | — | CN | disclosed |
| US-9045486-B2 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | SAVIRA PHARMACEUTICALS GMBH (AT) | 2015-06-02 | — | — | US | disclosed |
| WO-2014108406-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | SAVIRA PHARMACEUTICALS GMBH (AT) | 2014-07-17 | — | — | WO | disclosed |
| US-20140194431-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | SAVIRA PHARMACEUTICALS GMBH (AT) | 2014-07-10 | — | — | US | disclosed |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-01 | — | — | US | disclosed |
| US-6903213-B2 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2005-06-07 | — | — | US | disclosed |
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2003-05-01 | — | — | US | disclosed |
| EP-1245567-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-10-02 | — | — | EP | disclosed |
| US-6440986-B2 | VIRICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-08-27 | — | — | US | disclosed |
| EP-1225874-A1 | ANTIVIRAL COMPOSITIONS | Janssen Pharmaceutica N.V. (BE) | 2002-07-31 | — | — | EP | disclosed |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2001-08-02 | — | — | US | disclosed |
| WO-2001022938-A1 | ANTIVIRAL COMPOSITIONS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-04-05 | — | — | WO | disclosed |
| US-6197779-B1 | VIRICIDE | JANSSEN PHARMACEUTICA, INC. | 2001-03-06 | — | — | US | disclosed |
| EP-0945442-A1 | Trisubstituted pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | 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-20030083317-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, CXCR1 | ADRA2A 1287/4885HTR1A 336/4885ADRA2B 848/4885 |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | NR4A1, CCR5, NR4A3 | ADRA2A 541/4885HTR1A 387/4885ADRA2B 258/4885 |
| US-20160051518-A1 | BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF | NAT1, AADAC, TNNI3 | ADRA2A 690/4885HTR1A 1591/4885ADRA2B 459/4885 |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, NR4A1 | ADRA2A 1166/4885HTR1A 262/4885ADRA2B 774/4885 |
| US-20140194431-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | TPMT, XDH, DPYD | ADRA2A 3991/4885HTR1A 3873/4885ADRA2B 3480/4885 |
“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.