Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379573 | 0.91 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7510489 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8892144 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9097344 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7503350 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL8804655 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1812877 | 0.80 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6354794 | 0.79 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1812546 | 0.79 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7505182 | 0.79 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 |
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-1997027193-A1 | IMIDAZOPYRIDINE HALIDES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-07-31 | — | — | WO | disclosed |