Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6558569 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MCHR1L3MBTL1SRD5A1CYP19A1 | |
| SCHEMBL6556584 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MCHR1L3MBTL1SRD5A1CYP19A1 | |
| SCHEMBL6556413 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MCHR1L3MBTL1SRD5A1CYP19A1 | |
| SCHEMBL6556375 | 0.90 | SIGMAR1 (0.50) | SIGMAR1MCHR1L3MBTL1CYP19A1ALDH1A1 | |
| SCHEMBL6556380 | 0.90 | SIGMAR1 (0.50) | SIGMAR1MCHR1L3MBTL1CYP19A1ALDH1A1 | |
| SCHEMBL6556593 | 0.90 | SIGMAR1 (0.50) | SIGMAR1MCHR1L3MBTL1CYP19A1ALDH1A1 | |
| SCHEMBL6556384 | 0.90 | SIGMAR1 (0.50) | SIGMAR1MCHR1L3MBTL1CYP19A1ALDH1A1 | |
| SCHEMBL6558462 | 0.88 | KDM4E (0.42) | SIGMAR1L3MBTL1SRD5A1CYP19A1ALDH1A1 | |
| SCHEMBL6558458 | 0.88 | KDM4E (0.42) | SIGMAR1L3MBTL1SRD5A1CYP19A1ALDH1A1 | |
| SCHEMBL6558466 | 0.88 | KDM4E (0.42) | SIGMAR1L3MBTL1SRD5A1CYP19A1ALDH1A1 |
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 |