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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL31453008 | 0.94 | ACE (0.41) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL2460791 | 0.94 | ACE (0.41) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL11216737 | 0.94 | ACE (0.41) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL16604542 | 0.89 | ACE (0.41) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL7974692 | 0.88 | ACE (0.41) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| Formic Acid SCHEMBL18076372 | 0.86 | ACE (0.40) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL24492726 | 0.85 | CES2 (0.46) | ACEGABRR1BTKALDH1A1LMNA | |
| SCHEMBL19807394 | 0.85 | ANPEP (0.41) | ACEAKR1C3AKR1C1GABRR1BTK | |
| SCHEMBL15234156 | 0.84 | MEN1 (0.46) | ACEAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL8150515 | 0.84 | ACE (0.46) | ACEAKR1C3AKR1C1MEN1KMT2A |
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-117203313-A | 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume | 西姆莱斯股份公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116964182-A | 2, 6-trimethyl-pinan-2-ol as fragrance | 西姆莱斯股份公司 | 2023-10-27 | — | — | CN | disclosed |