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 | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8986829 | 0.96 | PLA2G7 (0.44) | PLA2G7RAB9ACNR1CYP1A2CYP3A4 | |
| SCHEMBL8986882 | 0.86 | ALDH1A1 (0.46) | RAB9ACNR1CYP1A2CYP3A4MAPT | |
| SCHEMBL8986884 | 0.84 | TRPA1 (0.42) | RAB9ACNR1CYP1A2CYP3A4TSHR | |
| SCHEMBL8986897 | 0.84 | KMT2A (0.48) | RAB9AGBA1KMT2AMEN1FPR2 | |
| SCHEMBL8986861 | 0.84 | TRPA1 (0.52) | RAB9ACNR1CYP1A2CYP3A4TSHR | |
| SCHEMBL8986845 | 0.79 | SMN1; SMN2 (0.59) | RAB9ACYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL8986885 | 0.73 | POLB (0.47) | RAB9ACYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL8986849 | 0.71 | SMN1; SMN2 (0.54) | RAB9ACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8986883 | 0.68 | KMT2A (0.70) | RAB9AMAPTKMT2AMEN1NPC1 | |
| SCHEMBL8986852 | 0.68 | SMN1; SMN2 (0.58) | RAB9ACYP1A2CYP3A4CYP2C19MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0572782-B1 | 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents | AMERICAN CYANAMID CO (US) | 1996-06-26 | — | — | EP | disclosed |
| US-5276038-A | 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents | AMERICAN CYANAMID COMPANY (US) | 1994-01-04 | — | — | US | disclosed |