Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8138023 | 0.93 | EGFR (0.59) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL4751661 | 0.86 | EGFR (0.54) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL3545527 | 0.84 | EGFR (0.75) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL8764395 | 0.84 | EGFR (0.57) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL30619656 | 0.84 | EGFR (0.57) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL30605142 | 0.84 | EGFR (0.75) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL27474234 | 0.83 | EGFR (0.54) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL30582059 | 0.82 | EGFR (0.52) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL3922071 | 0.82 | EGFR (0.52) | EGFRALDH1A1GAAKDM4EGLA | |
| SCHEMBL2978593 | 0.81 | EGFR (0.55) | EGFRALDH1A1GAAKDM4EGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501804-B1 | ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | EP | disclosed |