Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.36 |
| ▸ | DRD5 | P21918 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2045579 | 0.81 | PDE4A (0.51) | CYP3A4CYP2D6MAOAMAOBSLC6A4 | |
| SCHEMBL2041759 | 0.80 | PDE4A (0.49) | CYP3A4CYP2D6PDE4APDE4BPDE4C | |
| SCHEMBL6556530 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6DRD1DRD5IDO1 | |
| SCHEMBL6556525 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6DRD1DRD5IDO1 | |
| SCHEMBL18425177 | 0.74 | HTR2C (0.44) | CYP3A4CYP2D6PDE4APDE4BPDE4C | |
| SCHEMBL6558562 | 0.73 | DDB1 (0.47) | CYP3A4CYP2D6SLC6A4DRD1DRD5 | |
| SCHEMBL6557753 | 0.71 | DDB1 (0.51) | CYP3A4CYP2D6SLC6A4 | |
| SCHEMBL6556445 | 0.69 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30440992 | 0.69 | DDB1 (0.41) | CYP3A4CYP2D6DRD1MAPT | |
| SCHEMBL10814246 | 0.68 | DRD1 (0.54) | CYP3A4CYP2D6DRD1DRD5MAPT |
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 6 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 |
| CN-1113872-C | Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline | HOFFMANN LA ROCHE (CH) | 2003-07-09 | — | — | CN | disclosed |
| US-6310208-B1 | Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |
| CN-1243510-A | Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline | HOFFMANN LA ROCHE (CH) | 2000-02-02 | — | — | CN | disclosed |
| EP-0958285-A1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998030546-A1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-07-16 | — | — | WO | disclosed |