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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL1636561 | 0.86 | — | — | |
| Pentane SCHEMBL4736384 | 0.74 | LMNA (0.30) | — | |
| Acetone SCHEMBL8663681 | 0.67 | — | — | |
| SCHEMBL6652777 | 0.62 | — | — | |
| Benzoquinone SCHEMBL7548542 | 0.61 | ALDH1A1 (0.57) | FFAR3LCKFYN | |
| SCHEMBL1001734 | 0.61 | — | — | |
| SCHEMBL216231 | 0.59 | — | — | |
| SCHEMBL8162371 | 0.59 | — | — | |
| Acetic Acid SCHEMBL10893888 | 0.59 | — | — | |
| Acetic Acid SCHEMBL27640656 | 0.58 | FFAR3 (0.54) | FFAR3LCKFYN |
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-0437113-B1 | Process for making cyclopentadienyl manganese tricarbonyl compounds | ETHYL CORP (US) | 1994-11-30 | — | — | EP | disclosed |
| EP-0437113-A1 | Process for making cyclopentadienyl manganese tricarbonyl compounds | ETHYL CORPORATION (US) | 1991-07-17 | — | — | EP | disclosed |
| US-4946975-A | REACTING MANGANESE ACETATE, BISCYCLOPENTADIENYL MANGANESE COMPOUND, AND ALKYLALUMINUM COMPOUND | ETHYL CORPORATION (US) | 1990-08-07 | — | — | US | disclosed |