Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of 3-Octanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL29008746 | 0.95 | TSHR (0.48) | PLA2G4BCES2CES1TSHRDAO | |
| Benzoic Acid SCHEMBL28993292 | 0.95 | TSHR (0.48) | PLA2G4BCES2CES1TSHRDAO | |
| Terephthalic Acid SCHEMBL16227375 | 0.93 | PLA2G4B (0.54) | PLA2G4BGPR84TSHRFFAR4FFAR1 | |
| Benzoic Acid SCHEMBL28285786 | 0.92 | RARB (0.45) | PLA2G4BCES2CES1GPR84RARB | |
| Benzoic Acid SCHEMBL27846691 | 0.92 | FFAR4 (0.56) | PLA2G4BCES2CES1GPR84TSHR | |
| Benzoic Acid SCHEMBL10946836 | 0.92 | FFAR4 (0.56) | PLA2G4BCES2CES1GPR84TSHR | |
| Benzoic Acid SCHEMBL28711585 | 0.92 | FFAR4 (0.56) | PLA2G4BCES2CES1GPR84TSHR | |
| Isophthalic Acid SCHEMBL18340126 | 0.90 | PLA2G4B (0.46) | PLA2G4BGPR84 | |
| Benzoic Acid SCHEMBL569738 | 0.90 | PLA2G4B (0.48) | PLA2G4BCES2CES1GPR84TSHR | |
| Benzoic Acid SCHEMBL27899369 | 0.89 | DAO (0.45) | PLA2G4BCES2CES1TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999061432-A1 | FUMAGILLIN ANALOGS AND THEIR USE AS ANGIOGENESIS INHIBITORS | BIOCHEM PHARMA INC. (US) | 1999-12-02 | — | — | WO | disclosed |