Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 9/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 8/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5972875 | 0.84 | CYP2A6 (0.62) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL7447859 | 0.83 | PRKCI (0.54) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL27655354 | 0.80 | CYP2A6 (0.46) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL9200850 | 0.79 | CYP2A6 (0.66) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL13035339 | 0.78 | CYP2A6 (0.70) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL10162003 | 0.78 | CYP2A6 (0.70) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL3610698 | 0.78 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL3611935 | 0.78 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL3607664 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 | |
| SCHEMBL31061518 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2D6 |
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-104109155-A | Novel compounds | TANABE SEIYAKU CO | 2014-10-22 | — | — | CN | disclosed |
| CN-103819465-A | Novel compound | MITSUBISHI TANABE PHARMA CORP | 2014-05-28 | — | — | CN | disclosed |