Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | WNT1 | P04628 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30546874 | 0.84 | CYP2A6 (0.46) | CYP2A6CYP11B1CYP11B2CYP17A1CYP1A2 | |
| SCHEMBL16149264 | 0.84 | CYP2A6 (0.46) | CYP2A6CYP11B1CYP11B2GPBAR1CYP17A1 | |
| SCHEMBL15778479 | 0.80 | CYP2A6 (0.54) | CYP2A6METAP2GPBAR1NOS3NOS1 | |
| SCHEMBL30442955 | 0.80 | CYP2A6 (0.54) | CYP2A6METAP2GPBAR1NOS3NOS1 | |
| SCHEMBL4160810 | 0.79 | CYP2A6 (0.52) | CYP2A6METAP2CYP1A2NOS3NOS1 | |
| SCHEMBL15243551 | 0.78 | CYP17A1 (0.44) | CYP2A6CYP11B1CYP11B2CYP17A1CYP1A2 | |
| SCHEMBL12097338 | 0.78 | CYP2A6 (0.51) | CYP2A6METAP2GPBAR1CYP1A2NOS3 | |
| SCHEMBL18174651 | 0.77 | CYP2A6 (0.51) | CYP2A6CYP11B1CYP11B2CYP17A1CYP1A2 | |
| SCHEMBL196235 | 0.76 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL31252534 | 0.76 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 |
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-2020253458-A1 | CDK KINASE INHIBITOR | 北京睿熙生物科技有限公司 | 2020-12-24 | — | — | WO | disclosed |