Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 8/20 | 0.34 |
| ▸ | DRD5 | P21918 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6556525 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2D6DRD1DRD5DRD2 | |
| SCHEMBL6556640 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6DRD1DRD5ALDH1A1 | |
| SCHEMBL6558550 | 0.67 | SLC6A2 (0.36) | DRD2SMN1; SMN2 | |
| SCHEMBL6557719 | 0.67 | ALDH1A1 (0.35) | ALDH1A1KDM4ESMN1; SMN2HSD17B10NPSR1 | |
| SCHEMBL6556208 | 0.66 | SLC6A2 (0.36) | DRD2 | |
| SCHEMBL6556202 | 0.66 | SLC6A2 (0.36) | DRD2 | |
| SCHEMBL27450323 | 0.66 | CHRM2 (0.36) | DRD2 | |
| SCHEMBL6556205 | 0.66 | SLC6A2 (0.36) | DRD2 | |
| SCHEMBL6558339 | 0.66 | SLC6A2 (0.36) | DRD2 | |
| SCHEMBL6558346 | 0.66 | SLC6A2 (0.36) | DRD2 |
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 4 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 |
| 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 |