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 | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | CPN1 | P15169 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL31578247 | 0.88 | SLC6A1 (0.38) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Acetic Acid SCHEMBL31249677 | 0.84 | — | — | |
| SCHEMBL632283 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL30360384 | 0.81 | — | — | |
| Acetic Acid SCHEMBL28773291 | 0.80 | GABRA5 (0.44) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Pivalate SCHEMBL27826670 | 0.75 | SLC6A1 (0.35) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Pivalate SCHEMBL27826668 | 0.75 | SLC6A1 (0.35) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| SCHEMBL15594928 | 0.75 | — | — | |
| Bicarbonate SCHEMBL9715828 | 0.73 | — | — | |
| SCHEMBL4754505 | 0.73 | GABRA5 (0.41) | GABRA5GABRB2GABRA1GABRA4TSHR |
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-4552879-A | BACTERICIDES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-11-12 | — | — | US | disclosed |
| US-4399134-A | BACTERICIDES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-08-16 | — | — | US | disclosed |