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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500037 | 0.95 | PARP1 (0.53) | PARP1GRIN2DGRIN3BGRIN1GRIN2A | |
| Trifluoroacetic Acid SCHEMBL2500721 | 0.87 | PARP1 (0.46) | PARP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL27153094 | 0.81 | PARP1 (0.48) | PARP1KDM4EMAPTALDH1A1ADORA2A | |
| SCHEMBL7846859 | 0.80 | PARP1 (0.50) | PARP1EGLN1ADORA2AADORA1PKM | |
| SCHEMBL763087 | 0.79 | PARP1 (0.50) | PARP1ADORA2AADORA1HTR2AHTR2C | |
| SCHEMBL556764 | 0.77 | PARP1 (0.51) | PARP1MAPTMEN1ALDH1A1POLB | |
| Acetic Acid SCHEMBL7575146 | 0.76 | PARP1 (0.66) | PARP1KDM4E | |
| Acetic Acid SCHEMBL23301874 | 0.76 | PARP1 (0.41) | PARP1KDM4EALDH1A1EGLN1ADORA2A | |
| Acetic Acid SCHEMBL2498732 | 0.76 | GRIN2D (0.44) | PARP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28794202 | 0.76 | PARP1 (0.54) | PARP1GRIN2DGRIN3BGRIN1GRIN2A |
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-2373628-A1 | NOVEL COMPOUNDS | Glaxo Group Limited (GB) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010070021-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-24 | — | — | WO | disclosed |