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 | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 13/20 | 0.82 |
| ▸ | GABRB3 | P28472 | 13/20 | 0.82 |
| ▸ | GABRA5 | P31644 | 13/20 | 0.82 |
| ▸ | GABRA3 | P34903 | 13/20 | 0.82 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.82 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 SCHEMBL2661970 | 0.91 | GABRG2 (0.80) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2653081 | 0.90 | GABRG2 (1.00) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL5262195 | 0.76 | GABRG2 (0.68) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2654031 | 0.75 | GABRG2 (1.00) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2651553 | 0.75 | GABRG2 (1.00) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2653309 | 0.74 | GABRG2 (0.65) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2651675 | 0.72 | GABRG2 (1.00) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2651476 | 0.69 | GABRG2 (0.69) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2653507 | 0.69 | GABRG2 (1.00) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2654109 | 0.67 | GABRG2 (0.63) | GABRG2GABRB3GABRA5GABRA3GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532120-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004014865-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |