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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.30 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL244582 | 0.88 | — | — | |
| SCHEMBL9403 | 0.73 | — | — | |
| SCHEMBL9148267 | 0.69 | — | — | |
| Acetic Acid SCHEMBL10948107 | 0.66 | ALOX5 (0.46) | ALOX5TSHR | |
| Acetic Acid SCHEMBL7621903 | 0.56 | HDAC4 (0.39) | — | |
| Acetic Acid SCHEMBL2860804 | 0.56 | HDAC4 (0.39) | — | |
| Azetidine SCHEMBL30499018 | 0.56 | FFAR3 (0.54) | TSHRSLC6A1SLC6A13 | |
| Azetidine SCHEMBL2300503 | 0.56 | — | — | |
| SCHEMBL389739 | 0.55 | — | — | |
| Acetic Acid SCHEMBL23548939 | 0.53 | FFAR3 (0.58) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3990899-A1 | QUANTITATIVE RAMAN SPECTROSCOPY | Aalto University Foundation sr (FI) | 2022-05-04 | — | — | EP | disclosed |