Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL990826 | 0.83 | — | — | |
| SCHEMBL989535 | 0.80 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1832864 | 0.78 | LMNA (0.43) | CYP1A2CYP3A4 | |
| SCHEMBL12004479 | 0.75 | HCAR2 (0.33) | — | |
| SCHEMBL3597375 | 0.71 | RAB9A (0.41) | ATMALDH1A1 | |
| SCHEMBL9594088 | 0.71 | HSP90AA1 (0.37) | CYP3A4 | |
| SCHEMBL4204719 | 0.71 | — | — | |
| SCHEMBL17701220 | 0.71 | PTK2 (0.46) | CYP11B1CYP3A4 | |
| SCHEMBL943994 | 0.69 | NISCH (0.39) | PIM1CYP1A2 | |
| SCHEMBL501228 | 0.68 | CYP2A6 (0.39) | CYP2A6CYP11B1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011008788-A1 | FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF | ZHANG DAWEI (US) | 2011-01-20 | — | — | WO | claimed |
| WO-2011008788-A1 | FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF | ZHANG DAWEI (US) | 2011-01-20 | — | — | WO | disclosed |