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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3359193 | 0.96 | MKNK1 (0.46) | MKNK1MKNK2CYP2A6AKR1C3AKR1C2 | |
| Acetic Acid Methyl Ester SCHEMBL28640703 | 0.87 | NNMT (0.42) | MKNK1MKNK2CYP2A6AKR1C3AKR1C2 | |
| SCHEMBL1757694 | 0.84 | GRM1 (0.53) | MKNK1MKNK2MAPTSMN1; SMN2TDP1 | |
| SCHEMBL2128609 | 0.84 | PARP1 (0.52) | MKNK1MKNK2SMN1; SMN2TDP1SIRT3 | |
| SCHEMBL13254936 | 0.82 | TDP1 (0.44) | MKNK1MKNK2CYP2A6AKR1C3AKR1C2 | |
| SCHEMBL2012610 | 0.82 | AKR1C3 (0.54) | CYP2A6AKR1C3AKR1C2AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL2010269 | 0.80 | AKR1C3 (0.53) | CYP2A6AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL4247390 | 0.78 | PRKCI (0.55) | MKNK1MKNK2CYP2A6AKR1C3AKR1C2 | |
| SCHEMBL8150009 | 0.78 | PRSS1 (0.64) | MKNK1MKNK2TDP1SIRT3 | |
| SCHEMBL13100225 | 0.77 | DGAT1 (0.56) | MKNK1MKNK2AKR1C3AKR1C2AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354551-A | Preparation method of amide compound | 东莞市东阳光动物保健药品有限公司 | 2021-09-07 | — | — | CN | disclosed |