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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CTH | P32929 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3078982 | 0.80 | LMNA (0.40) | FFAR3CYP1A2CYP2D6HSD17B10HDAC3 | |
| SCHEMBL8096396 | 0.70 | — | — | |
| SCHEMBL8864879 | 0.69 | — | — | |
| SCHEMBL8864889 | 0.69 | — | — | |
| Acetic Acid SCHEMBL28434451 | 0.67 | FFAR3 (0.41) | FFAR3LCKFYNCYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL1323545 | 0.67 | FFAR3 (0.41) | FFAR3LCKFYNCYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL28389016 | 0.67 | FFAR3 (0.41) | FFAR3LCKFYNCYP1A2CYP2D6 | |
| Propionic Acid SCHEMBL386699 | 0.66 | FFAR3 (0.83) | FFAR3LCKFYNHSD17B10HDAC3 | |
| Propionic Acid SCHEMBL608914 | 0.66 | FFAR3 (0.83) | FFAR3LCKFYNHSD17B10HDAC3 | |
| Propionic Acid SCHEMBL2461940 | 0.66 | FFAR3 (0.83) | FFAR3LCKFYNHSD17B10HDAC3 |
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-2064180-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008082484-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |