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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 9/20 | 0.93 |
| ▸ | ESR2 known ✓ | Q92731 | 9/20 | 0.93 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.93 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.58 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.58 |
| ▸ | FLT1 | P17948 | 1/20 | 0.58 |
| ▸ | GRK5 | P34947 | 1/20 | 0.58 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.58 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.58 |
| ▸ | CDK8 | P49336 | 1/20 | 0.58 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.58 |
| ▸ | PRKX | P51817 | 1/20 | 0.58 |
| ▸ | JAK3 | P52333 | 1/20 | 0.58 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.58 |
| ▸ | BTK | Q06187 | 1/20 | 0.58 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL75695 | 0.96 | ESR1 (1.00) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| Propionic Acid SCHEMBL5027134 | 0.91 | ESR1 (0.90) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL12289087 | 0.90 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| Cadaverine Tartrate SCHEMBL18132305 | 0.87 | ESR1 (0.81) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL9092978 | 0.86 | ESR1 (0.80) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL19976633 | 0.85 | ALDH1A1 (0.79) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL8747395 | 0.84 | ESR1 (0.77) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL9094004 | 0.83 | ESR1 (0.75) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL9092941 | 0.83 | ESR1 (0.75) | ESR1ESR2CYP3A4ALDH1A1CHEK1 | |
| SCHEMBL5936700 | 0.81 | ALDH1A1 (0.73) | ESR1ESR2CYP3A4ALDH1A1CHEK1 |
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-4466902-A | Rust inhibitor | IPPOSHA OIL INDUSTRIES, CO., LTD. (JP) | 1984-08-21 | — | — | US | disclosed |