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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
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 SCHEMBL11769411 | 1.00 | CES2 (0.57) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL5597177 | 1.00 | CES2 (0.57) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL11244100 | 1.00 | CES2 (0.57) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL2400937 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL4930252 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL138223 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL2863329 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL537713 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL3426392 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB | |
| Acetic Acid SCHEMBL3139068 | 0.89 | CES2 (0.68) | CES2HTTMEN1KMT2ATHRB |
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-4319987-A | Branched alkyl ether amines as iron ore flotation aids | EXXON RESEARCH & ENGINEERING CO. (US) | 1982-03-16 | — | — | US | disclosed |