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 | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 10/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.49 |
| ▸ | TRPM2 | O94759 | 3/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 11/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375980 | 0.96 | PLA2G1B (0.49) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL28691190 | 0.96 | PLA2G1B (0.49) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL12405346 | 0.85 | CA12 (0.55) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL16934046 | 0.85 | CA12 (0.55) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL16934045 | 0.85 | CA12 (0.55) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL23533894 | 0.85 | CA12 (0.55) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL7867309 | 0.85 | CA12 (0.55) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| SCHEMBL27560301 | 0.85 | MET (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2THRB | |
| SCHEMBL27729238 | 0.84 | KDM4E (0.51) | PLA2G1BCYSLTR2CYSLTR1TRPM2TRPA1 | |
| Octane SCHEMBL28761136 | 0.84 | EGFR (0.57) | NPC1TDP1 |
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-114146035-A | Sun-screening and anti-aging face cream and preparation method thereof | 中国科学院合肥物质科学研究院 | 2022-03-08 | — | — | CN | disclosed |