Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6556322 | 1.00 | IDO1 (0.41) | IDO1ACHECDK4CCND1HTR2C | |
| SCHEMBL6556331 | 1.00 | IDO1 (0.41) | IDO1ACHECDK4CCND1HTR2C | |
| SCHEMBL13213819 | 1.00 | IDO1 (0.41) | IDO1ACHECDK4CCND1HTR2C | |
| SCHEMBL6556312 | 0.90 | IDO1 (0.43) | IDO1ACHEHTR2CCYP3A4 | |
| SCHEMBL6556315 | 0.90 | IDO1 (0.43) | IDO1ACHEHTR2CCYP3A4 | |
| SCHEMBL6556309 | 0.90 | IDO1 (0.43) | IDO1ACHEHTR2CCYP3A4 | |
| SCHEMBL1743580 | 0.88 | IDO1 (0.55) | IDO1CDK4CCND1HTR2CDRD2 | |
| SCHEMBL6558377 | 0.88 | IDO1 (0.55) | IDO1CDK4CCND1HTR2CDRD2 | |
| SCHEMBL1743583 | 0.88 | IDO1 (0.55) | IDO1CDK4CCND1HTR2CDRD2 | |
| SCHEMBL1743577 | 0.88 | IDO1 (0.55) | IDO1CDK4CCND1HTR2CDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958285-B1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | HOFFMANN LA ROCHE (CH) | 2004-01-07 | — | — | EP | disclosed |
| US-6310208-B1 | Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |