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 | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.55 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.55 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL14275080 | 0.94 | TAS1R3 (0.60) | TAS1R3TAS1R1TPMTMAPTHPGD | |
| SCHEMBL26454584 | 0.90 | TAS1R3 (0.56) | TAS1R3TAS1R1TPMTMAPTHPGD | |
| SCHEMBL6173135 | 0.87 | TPMT (0.57) | TAS1R3TAS1R1TPMTMAPTHPGD | |
| SCHEMBL12688285 | 0.85 | TAS1R3 (0.53) | TAS1R3TAS1R1TPMTMAPTHPGD | |
| SCHEMBL3352875 | 0.81 | TAS1R3 (0.49) | TAS1R3TAS1R1MAPTHPGDBRD4 | |
| SCHEMBL26712444 | 0.81 | TAS1R3 (0.49) | TAS1R3TAS1R1MAPTHPGDMLYCD | |
| SCHEMBL17809693 | 0.81 | GRN (0.50) | TAS1R3TAS1R1MAPTHPGDMLYCD | |
| SCHEMBL4443226 | 0.81 | MLYCD (0.53) | TAS1R3TAS1R1MAPTHPGDBRD4 | |
| SCHEMBL15726925 | 0.79 | NPSR1 (0.49) | TAS1R3TAS1R1MAPTHPGDBRD4 | |
| SCHEMBL16261254 | 0.78 | NPSR1 (0.63) | TAS1R3TAS1R1MLYCDNPSR1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4261732-A | Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides | PPG INDUSTRIES, INC. (US) | 1981-04-14 | — | — | US | disclosed |