Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.33 |
| ▸ | NQO2 | P16083 | 2/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.32 |
| ▸ | CYP2C18 | P33260 | 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 | |
|---|---|---|---|---|
| SCHEMBL4382412 | 0.84 | ALDH1A1 (0.53) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL27769272 | 0.76 | L3MBTL1 (0.44) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL16579705 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TAAR1NQO2CYP3A4CYP1A2 | |
| SCHEMBL28105331 | 0.76 | L3MBTL1 (0.44) | ALDH1A1CYP1A1CYP1B1NQO2CYP3A4 | |
| SCHEMBL17923133 | 0.74 | NOS1 (0.45) | ALDH1A1TAAR1CYP3A4MEN1KMT2A | |
| SCHEMBL17878829 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL23181520 | 0.70 | — | — | |
| SCHEMBL8337681 | 0.67 | ALDH1A1 (0.50) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL1901364 | 0.67 | LMNA (0.38) | ALDH1A1CYP1A2SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL22621679 | 0.65 | PTGS1 (0.38) | ALDH1A1TAAR1CYP1A2CYP2C9CYP2C19 |
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-2009103950-A1 | FLUORINATED PYRIDIN-4-0NES | BTG INTERNATIONAL LIMITED (GB) | 2009-08-27 | — | — | WO | disclosed |