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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 SCHEMBL4332203 | 0.86 | CES1 (0.41) | CES1CA1CES2ALDH1A1TP53 | |
| Acrylic Acid SCHEMBL9336913 | 0.83 | TSHR (0.38) | CES1CA1CES2ALDH1A1TP53 | |
| Dodecanoate SCHEMBL9807058 | 0.81 | FABP3 (0.56) | CES1CA1CES2ALDH1A1TSHR | |
| Stearic Acid SCHEMBL11553981 | 0.81 | FABP3 (0.56) | CES1CA1CES2ALDH1A1TSHR | |
| Octanoic Acid SCHEMBL11037995 | 0.81 | FABP3 (0.56) | CES1CA1CES2ALDH1A1TSHR | |
| Acetic Acid SCHEMBL23327569 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL11663016 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL62981 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| SCHEMBL1357129 | 0.79 | TSHR (0.38) | ALDH1A1TSHR | |
| SCHEMBL4650808 | 0.79 | TSHR (0.38) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5075468-A | Preparation of polyurethanes, crosslinking of polysiloxanes | RHONE-POULENC CHIMIE (FR) | 1991-12-24 | — | — | US | disclosed |
| EP-0056576-B1 | PROCESS FOR PRODUCING POLYURETHANES WHICH MAY BE FOAMED | BAYER AG (DE) | 1985-08-28 | — | — | EP | disclosed |
| US-4390640-A | HALODIHYDROCARBYLTIN CARBOXYLATE ACTIVATOR | BAYER AKTIENGESELLSCHAFT (DE) | 1983-06-28 | — | — | US | disclosed |