Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27599940 | 0.85 | FAAH (0.52) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL27582493 | 0.84 | FAAH (0.39) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL15560231 | 0.78 | CYP2A6 (0.59) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL2113998 | 0.77 | L3MBTL1 (0.48) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL13300562 | 0.76 | CYP2A6 (0.74) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL6690177 | 0.76 | CYP2A6 (0.74) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL27582560 | 0.75 | KEAP1 (0.46) | ALDH1A1 | |
| SCHEMBL23132279 | 0.75 | CYP2A6 (0.49) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL29817581 | 0.75 | CYP2A6 (0.49) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 | |
| SCHEMBL16894258 | 0.74 | HPGD (0.52) | CYP2A6CYP2C19CYP2C9CYP2B6CYP3A4 |
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-1492874-A | Macrolide antibiotics | — | 2004-04-28 | — | — | CN | disclosed |