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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL148929 | 0.84 | ALDH1A1 (0.39) | LMNA | |
| Water SCHEMBL1506765 | 0.81 | ALDH1A1 (0.36) | LMNA | |
| Hydrochloric Acid SCHEMBL11313405 | 0.81 | ALDH1A1 (0.36) | LMNA | |
| Iodide SCHEMBL17865375 | 0.81 | ALDH1A1 (0.36) | LMNA | |
| Acetic Acid SCHEMBL10484312 | 0.80 | FFAR3 (0.39) | FFAR3LCKFYNTP53CYP1A2 | |
| Acetic Acid SCHEMBL10484270 | 0.80 | FFAR3 (0.39) | FFAR3LCKFYNTP53CYP1A2 | |
| Formic Acid SCHEMBL4634652 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL4634973 | 0.77 | CA5A (0.35) | TP53CYP2D6BLM | |
| Acetic Acid SCHEMBL1565106 | 0.74 | — | — | |
| Acetic Acid SCHEMBL4292108 | 0.74 | FFAR3 (0.54) | FFAR3LCKFYNTP53SLC7A5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070282026-A1 | Low-Odor Catalyst for Isocyanate-Derived Foams and Elastomers | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2007-12-06 | — | — | US | disclosed |