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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
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 SCHEMBL30463090 | 1.00 | CYP3A4 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| SCHEMBL127483 | 0.96 | SLC1A2 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL29273219 | 0.95 | SLC1A2 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| Iodide SCHEMBL8074782 | 0.95 | SLC1A2 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| Bromide SCHEMBL8072905 | 0.95 | SLC1A2 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| Water SCHEMBL27749086 | 0.95 | SLC1A2 (0.33) | CYP3A4SLC1A2SLC1A1 | |
| Formic Acid SCHEMBL28296441 | 0.90 | SLC1A2 (0.30) | SLC1A2SLC1A1 | |
| SCHEMBL7158934 | 0.88 | GRM4 (0.36) | — | |
| 1,4-Butanediol SCHEMBL11757107 | 0.87 | — | — | |
| Crotonic Acid SCHEMBL28072640 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113647993-B | Noninvasive intestinal component collection capsule and application method thereof | 成都医学院 | 2023-06-16 | — | — | CN | claimed |
| CN-113647993-B | Noninvasive intestinal component collection capsule and application method thereof | 成都医学院 | 2023-06-16 | — | — | CN | disclosed |