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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
| ▸ | ARG2 | P78540 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2523008 | 0.86 | FFAR3 (0.44) | FFAR3LCKFYNALDH1A1MEN1 | |
| Malonic Acid SCHEMBL27691496 | 0.85 | LDHA (0.43) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Trifluoroacetic Acid SCHEMBL28476125 | 0.83 | MEN1 (0.38) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Hydroxyamine SCHEMBL2673839 | 0.83 | MEN1 (0.32) | MEN1KMT2AFDPS | |
| SCHEMBL56858 | 0.83 | — | — | |
| Lactic Acid SCHEMBL30297156 | 0.81 | TP53 (0.48) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| SCHEMBL5320897 | 0.80 | KDM4E (0.48) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Hydrochloric Acid SCHEMBL1464814 | 0.80 | CYP2D6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1464815 | 0.80 | — | — | |
| SCHEMBL20545439 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012006316-A1 | PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION | NEW GENERATION BIOFUELS HOLDINGS, INC. (US) | 2012-01-12 | — | — | WO | disclosed |
| EP-2010631-A2 | BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL | New Generation Biofuels, Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007127059-A2 | BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL | NEW GENERATION BIOFUELS, INC. (US) | 2007-11-08 | — | — | WO | disclosed |