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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SLC15A2 | Q16348 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL195596 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10483716 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNCA1LMNA | |
| Acetic Acid SCHEMBL28511653 | 0.96 | — | — | |
| Acetone SCHEMBL593743 | 0.87 | — | — | |
| Dimethyl Sulfoxide SCHEMBL3162239 | 0.87 | — | — | |
| Dimethyl Sulfoxide SCHEMBL11034597 | 0.83 | — | — | |
| Dimethyl Sulfoxide SCHEMBL11133890 | 0.80 | CA1 (0.39) | FFAR3LCKFYNCA1CA2 | |
| Dimethyl Sulfoxide SCHEMBL10468517 | 0.80 | — | — | |
| Dimethyl Sulfoxide SCHEMBL8908359 | 0.80 | CA1 (0.39) | FFAR3LCKFYNCA1CA2 | |
| Acetamide SCHEMBL15661332 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966210-A2 | SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS | Novartis AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071393-A2 | SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS | NOVARTIS AG (CH) | 2007-06-28 | — | — | WO | disclosed |
| US-4190661-A | BACTERICIDES | LABORATOIRES CHAUVIN-BLACHE (FR) | 1980-02-26 | — | — | US | disclosed |