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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | PPARA | Q07869 | 6/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL27597479 | 0.90 | FFAR3 (0.50) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL107787 | 0.88 | — | — | |
| SCHEMBL107786 | 0.88 | — | — | |
| SCHEMBL1760745 | 0.88 | — | — | |
| Bicarbonate SCHEMBL11210268 | 0.77 | AKR1B1 (0.54) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL195384 | 0.76 | — | — | |
| SCHEMBL2152750 | 0.76 | — | — | |
| SCHEMBL196084 | 0.76 | — | — | |
| SCHEMBL6936921 | 0.74 | — | — | |
| SCHEMBL6721798 | 0.74 | — | — |
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-105392768-B | It is used as the bicyclic aldehyde of perfuming component | 弗门尼舍有限公司 | 2017-09-15 | — | — | CN | disclosed |
| CN-104837798-B | Sage odorant | 弗门尼舍有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-106456473-A | FLORAL, GREEN ODORANT | 弗门尼舍有限公司 | 2017-02-22 | — | — | CN | disclosed |