Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31144931 | 0.81 | IKBKB (0.37) | IDO1GAAMAPK1RAB9A | |
| SCHEMBL5612899 | 0.79 | CYP2A6 (0.39) | CYP2A6PDGFRBCYP2E1CYP2B6 | |
| SCHEMBL2782846 | 0.77 | CYP2A6 (0.45) | CYP2A6TOP1CCNE2CDK4CCND1 | |
| SCHEMBL16398471 | 0.74 | CYP2A6 (0.34) | CYP2A6TOP1POLBL3MBTL1GRM5 | |
| SCHEMBL28320579 | 0.73 | GAA (0.32) | CDK2GAAMAPK1RAB9A | |
| SCHEMBL5612780 | 0.72 | IDO1 (0.54) | IDO1POLBGAAMAPK1RAB9A | |
| SCHEMBL5612882 | 0.71 | KIF11 (0.45) | TOP1 | |
| SCHEMBL2024760 | 0.70 | — | — | |
| SCHEMBL16398855 | 0.70 | RXRA (0.50) | CYP2A6POLBL3MBTL1PDGFRBRAB9A | |
| SCHEMBL28321701 | 0.67 | NFE2L2 (0.43) | — |
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-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | disclosed |