Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7350648 | 0.88 | CYP1A2 (0.43) | NLRP3MAPK14MAPTKDM4EALDH1A1 | |
| SCHEMBL10751823 | 0.77 | MGLL (0.41) | NLRP3MAPK14P2RX7MAPTALDH1A1 | |
| SCHEMBL8365425 | 0.76 | KMT2A (0.50) | PTGS2CXCL8AKR1B10UGT1A9TRPA1 | |
| SCHEMBL11663327 | 0.76 | MAPK14 (0.49) | NLRP3MAPK14PTGS2CXCL8MAPT | |
| SCHEMBL5047053 | 0.76 | LCK (0.40) | NLRP3MAPK14PTGS2CXCL8AKR1B10 | |
| SCHEMBL3786027 | 0.74 | ALDH1A1 (0.47) | NLRP3MAPK14MAPTKDM4EALDH1A1 | |
| SCHEMBL2104146 | 0.74 | MAPK14 (0.39) | NLRP3MAPK14ADRA1AMAPTKDM4E | |
| SCHEMBL2865982 | 0.74 | MEN1 (0.41) | MAPK14PTGS2ABCB11PTGS1NR1I3 | |
| SCHEMBL24292090 | 0.73 | LCK (0.36) | NLRP3MAPK14PTGS2CXCL8AKR1B10 | |
| SCHEMBL11545576 | 0.73 | PGK1 (0.40) | MAPTKDM4EALDH1A1MEN1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0540143-B1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2003-02-05 | — | — | EP | disclosed |
| US-5714503-A | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 1998-02-03 | — | — | US | disclosed |
| US-5658907-A | THIOUREA VIRICIDES | MEDIVIR A/B (SE) | 1997-08-19 | — | — | US | disclosed |
| US-5593993-A | VIRICIDES FOR HTLV TREATMENT OF AIDS | MEDIVIR AB (SE) | 1997-01-14 | — | — | US | disclosed |
| EP-0540143-A2 | Compounds and methods for inhibition of HIV and related viruses | Medivir Aktiebolag (SE) | 1993-05-05 | — | — | EP | disclosed |
| WO-1993003022-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1993-02-18 | — | — | WO | disclosed |