Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557753 | 0.82 | DDB1 (0.51) | DDB1CRBNCYP3A4CYP2D6KMT2A | |
| SCHEMBL30440992 | 0.81 | DDB1 (0.41) | DDB1CRBNCYP3A4CYP2D6KDM4E | |
| SCHEMBL2045579 | 0.81 | PDE4A (0.51) | CYP3A4CYP2D6GAASLC6A4 | |
| SCHEMBL10814246 | 0.80 | DRD1 (0.54) | CYP3A4CYP2D6KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL13928824 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2D6SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6410310 | 0.76 | TACR1 (0.58) | ALDH1A1POLB | |
| SCHEMBL16885903 | 0.75 | DDB1 (0.47) | DDB1CRBNKMT2AALDH1A1GAA | |
| SCHEMBL2041759 | 0.74 | PDE4A (0.49) | CYP3A4CYP2D6 | |
| SCHEMBL11637205 | 0.73 | DDB1 (0.55) | DDB1CRBNKMT2AALDH1A1PTGS2 | |
| SCHEMBL6556640 | 0.73 | CYP3A4 (0.42) | CYP3A4CYP2D6ALDH1A1SLC6A4DRD1 |
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 |