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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 3/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.47 |
| ▸ | STAT1 | P42224 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30015045 | 0.94 | ALDH1A1 (0.54) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Acetamide SCHEMBL5465637 | 0.86 | SCD (0.52) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28924950 | 0.84 | CYP1A2 (0.64) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3127698 | 0.73 | CYP3A4 (0.53) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11667084 | 0.73 | CXCL8 (0.52) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10424663 | 0.72 | SIRT2 (0.62) | ALDH1A1SIRT2HPGD | |
| SCHEMBL31069449 | 0.71 | ALDH1A1 (0.59) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11159476 | 0.71 | ALDH1A1 (0.59) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9851135 | 0.71 | TDP1 (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL317825 | 0.71 | AURKA (0.65) | ALDH1A1SMN1; SMN2GAASIRT2AURKA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109456279-B | Thiazolylaminobenzamide acetate derivatives and uses thereof | 南华大学 | 2022-11-22 | — | — | CN | disclosed |
| CN-109456279-B | Thiazolylaminobenzamide acetate derivatives and uses thereof | 南华大学 | 2022-11-22 | — | — | CN | disclosed |