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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | F7 | P08709 | 3/20 | 0.39 |
| ▸ | F3 | P13726 | 3/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 SCHEMBL27333843 | 0.88 | ALDH1A1 (0.38) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Acetic Acid SCHEMBL696492 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Acetic Acid SCHEMBL7533517 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Acetic Acid SCHEMBL696493 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Carbamic Acid SCHEMBL28862996 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Carbamic Acid SCHEMBL28129659 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Carbamic Acid SCHEMBL28337520 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP19A1OXER1PPARGMAPT | |
| Acetic Acid SCHEMBL27334394 | 0.82 | FFAR3 (0.35) | ALDH1A1FFAR3LCKFYNLMNA | |
| Acetic Acid SCHEMBL28512617 | 0.80 | FFAR3 (0.58) | ALDH1A1MAPTFFAR3LCKFYN | |
| Acetic Acid SCHEMBL28694434 | 0.80 | FFAR3 (0.58) | ALDH1A1MAPTFFAR3LCKFYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110074143-A | A kind of composition and preparation method thereof for luring tea seed weevil adult | 金华市农业科学研究院 | 2019-08-02 | — | — | CN | claimed |
| CN-110074143-A | A kind of composition and preparation method thereof for luring tea seed weevil adult | 金华市农业科学研究院 | 2019-08-02 | — | — | CN | disclosed |
| CN-110074143-A | A kind of composition and preparation method thereof for luring tea seed weevil adult | 金华市农业科学研究院 | 2019-08-02 | — | — | CN | disclosed |