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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 SCHEMBL131569 | 0.97 | FFAR3 (0.39) | TDP1FFAR3LCKFYNCA1 | |
| Acetic Acid SCHEMBL27627871 | 0.97 | FFAR3 (0.39) | TDP1FFAR3LCKFYNCA1 | |
| Acetic Acid SCHEMBL667791 | 0.95 | TDP1 (0.37) | TDP1FFAR3LCKFYNCA1 | |
| Acetic Acid SCHEMBL28108198 | 0.90 | TDP1 (0.35) | TDP1FFAR3LCKFYNCA1 | |
| Acetic Acid SCHEMBL460076 | 0.90 | TDP1 (0.35) | TDP1FFAR3LCKFYNCA1 | |
| Acetone SCHEMBL28037702 | 0.89 | ALDH1A1 (0.40) | TDP1CA1CA2MEN1POLB | |
| Sulfuric Acid SCHEMBL8521734 | 0.88 | TDP1 (0.34) | TDP1FFAR3LCKFYNCA1 | |
| 1,3-Propanediol SCHEMBL7760174 | 0.86 | TSHR (0.36) | TDP1FFAR3LCKFYNCA1 | |
| Acetic Acid SCHEMBL27573061 | 0.86 | ALDH1A1 (0.38) | TDP1FFAR3LCKFYNCA1 | |
| Bicarbonate SCHEMBL1206563 | 0.86 | CA1 (0.41) | TDP1CA1CA2MEN1POLB |
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-5540337-A | Alkyloxyalkaneamines useful as cationic froth flotation collectors | BAKER HUGHES INCORPORATED (US) | 1996-07-30 | — | — | US | disclosed |
| US-4319987-A | Branched alkyl ether amines as iron ore flotation aids | EXXON RESEARCH & ENGINEERING CO. (US) | 1982-03-16 | — | — | US | disclosed |