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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 SCHEMBL870378 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL10946765 | 0.96 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL6662900 | 0.92 | FFAR3 (0.64) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL449532 | 0.92 | FFAR3 (0.64) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL31377001 | 0.92 | FFAR3 (0.64) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL270502 | 0.89 | FFAR3 (0.50) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL4880038 | 0.89 | FFAR3 (0.50) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL9199538 | 0.89 | FFAR3 (0.50) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL11528247 | 0.86 | FFAR3 (0.47) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL3958994 | 0.86 | FFAR3 (0.47) | FFAR3LCKFYNGLRA1SLC6A9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6530383-B1 | Aqueous solution of alkali soluble polymer and nonionic sur-factant; one step cleaning and surface preservation; useable in automated cleaners | ECOLAB GMBH & CO. OHG (DE) | 2003-03-11 | — | — | US | disclosed |
| US-4578208-A | PHOSPHORIC ACID ESTER, ALKANOLAMINE, NONIONIC SURFACTANT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-03-25 | — | — | US | disclosed |