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 | 3/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.31 |
| ▸ | GABRE | P78334 | 2/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.31 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL41569 | 0.94 | ALDH1A1 (0.33) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL27840286 | 0.91 | ALDH1A1 (0.32) | ALDH1A1 | |
| Chloromethane SCHEMBL653586 | 0.89 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL28149436 | 0.82 | CA14 (0.31) | — | |
| SCHEMBL3161004 | 0.79 | HCAR2 (0.37) | ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL7854403 | 0.76 | LTA4H (0.39) | MAPT | |
| SCHEMBL16160201 | 0.75 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPT | |
| SCHEMBL9404479 | 0.73 | GRIK1 (0.35) | — | |
| Acetic Acid SCHEMBL10617960 | 0.72 | ALDH1A1 (0.36) | ALDH1A1SLC1A3SLC1A2SLC1A1SLC7A5 | |
| SCHEMBL28826497 | 0.71 | ALDH1A1 (0.33) | ALDH1A1 |
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-4745154-A | THICKENERS, FLOCCULANTS, DRILLING FLUIDS | ALCO CHEMICAL CORPORATION (US) | 1988-05-17 | — | — | US | claimed |
| US-4745154-A | THICKENERS, FLOCCULANTS, DRILLING FLUIDS | ALCO CHEMICAL CORPORATION (US) | 1988-05-17 | — | — | US | disclosed |