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 | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.93 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.93 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.56 |
| ▸ | PPARG | P37231 | 3/20 | 0.56 |
| ▸ | AR | P10275 | 2/20 | 0.56 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | PTGES | O14684 | 1/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29481380 | 0.96 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11037919 | 0.96 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL10788768 | 0.89 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11262826 | 0.87 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5268342 | 0.87 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11615785 | 0.87 | AKR1C3 (0.73) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11086794 | 0.86 | AKR1C3 (0.76) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL16746715 | 0.86 | AKR1C3 (0.81) | AKR1C3AKR1C2TUBB1PTGS1KDM4E | |
| SCHEMBL29596462 | 0.85 | AKR1C3 (0.80) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5269541 | 0.85 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4003990-A | Anti-inflammatory polymers, pharmaceutical compositions containing the same and process for producing said polymers | SOCIETE ANONYME DITE: L'OREAL (FR) | 1977-01-18 | — | — | US | disclosed |
| US-3946035-A | ADDITION POLYMERS | L'OREAL (FR) | 1976-03-23 | — | — | US | disclosed |