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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.43 |
| ▸ | F7 | P08709 | 3/20 | 0.43 |
| ▸ | F3 | P13726 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL26621 | 0.95 | — | — | |
| SCHEMBL37416 | 0.95 | — | — | |
| SCHEMBL16028753 | 0.95 | ALDH1A1 (0.71) | ALDH1A1ALOX15CYP2D6CYP19A1OXER1 | |
| SCHEMBL16028752 | 0.95 | ALDH1A1 (0.71) | ALDH1A1ALOX15CYP2D6CYP19A1OXER1 | |
| SCHEMBL1129707 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1375887 | 0.92 | — | — | |
| SCHEMBL11329669 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1375884 | 0.92 | — | — | |
| Ethylene SCHEMBL6138361 | 0.90 | ALDH1A1 (0.63) | ALDH1A1ALOX15CYP2D6CYP19A1OXER1 | |
| Ethylene SCHEMBL29194016 | 0.90 | ALDH1A1 (0.63) | ALDH1A1ALOX15CYP2D6CYP19A1OXER1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016014954-A1 | TANDEM Z-SELECTIVE METATHESIS / DIHYDROXYLATION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-01-28 | — | — | WO | disclosed |