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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 8/20 | 0.54 |
| ▸ | FFAR4 | Q5NUL3 | 6/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL246473 | 0.94 | MEN1 (0.59) | MEN1ALDH1A1KMT2AFFAR1FFAR4 | |
| SCHEMBL29444401 | 0.94 | MEN1 (0.59) | MEN1ALDH1A1KMT2AFFAR1FFAR4 | |
| SCHEMBL9220937 | 0.85 | IAPP (0.55) | MEN1ALDH1A1KMT2ATAAR1MAOB | |
| SCHEMBL1265758 | 0.83 | HDAC3 (0.57) | MEN1ALDH1A1KMT2AFFAR1FFAR4 | |
| SCHEMBL29462363 | 0.83 | HDAC3 (0.57) | MEN1ALDH1A1KMT2AFFAR1FFAR4 | |
| SCHEMBL7955109 | 0.80 | TAAR1 (0.56) | MEN1ALDH1A1KMT2ATAAR1MAOB | |
| SCHEMBL7331602 | 0.80 | TAAR1 (0.56) | MEN1ALDH1A1KMT2AFFAR1FFAR4 | |
| SCHEMBL13492011 | 0.80 | MAPT (0.59) | MEN1ALDH1A1KMT2ATAAR1PTGER1 | |
| SCHEMBL30427741 | 0.80 | MAPT (0.59) | MEN1ALDH1A1KMT2ATAAR1PTGER1 | |
| SCHEMBL1261294 | 0.80 | SMN1; SMN2 (0.54) | MEN1ALDH1A1KMT2AFFAR1FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117110463-A | Method for simultaneously detecting 34 food-derived stimulants in food | 成都市食品检验研究院 | 2023-11-24 | — | — | CN | disclosed |