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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL27401541 | 0.90 | ALOX5 (0.59) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| Methacrylic Acid SCHEMBL22733749 | 0.89 | ALOX5 (0.46) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL4122317 | 0.88 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL11329381 | 0.87 | — | — | |
| SCHEMBL79717 | 0.87 | — | — | |
| SCHEMBL8587037 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL355659 | 0.84 | — | — | |
| SCHEMBL28309672 | 0.84 | — | — | |
| SCHEMBL15695572 | 0.79 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL3559567 | 0.79 | CYP2C9 (0.51) | ALOX5CES2CES1KEAP1ALDH1A1 |
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-1174037-C | Gel composition | �����ɺϻ﹫˾ | 2004-11-03 | — | — | CN | disclosed |
| CN-1134418-C | Substituted pyrazolyl benzenesulfonamides for treating inflammation | - | 2004-01-14 | — | — | CN | disclosed |