Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16438149 | 0.93 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15164817 | 0.90 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL16440230 | 0.89 | CYP2C9 (0.58) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12456007 | 0.85 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL17955371 | 0.82 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12215447 | 0.81 | CYP2C9 (0.44) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL30940373 | 0.81 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL30940370 | 0.81 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12215230 | 0.81 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10077421 | 0.80 | CYP2C9 (0.62) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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-2016100651-A1 | A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-06-23 | — | — | WO | disclosed |