Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 5/20 | 0.37 |
| ▸ | CNR2 | P34972 | 5/20 | 0.37 |
| ▸ | KDM5A | P29375 | 5/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 4/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5809349 | 0.91 | CYP1A2 (0.48) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5810222 | 0.90 | CYP1A2 (0.47) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Sulfuric Acid SCHEMBL5806215 | 0.89 | CYP1A2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Phosphoric Acid SCHEMBL5806299 | 0.89 | CYP1A2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5808767 | 0.89 | CYP1A2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Nitric Acid SCHEMBL5807389 | 0.88 | CYP1A2 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5806964 | 0.87 | CYP1A2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5805692 | 0.87 | CYP1A2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5806747 | 0.85 | CYP1A2 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5810003 | 0.85 | CYP1A2 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 |
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-2006025717-A1 | PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORPORATION (KR) | 2006-03-09 | — | — | WO | disclosed |