Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 5/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6557719 | 0.79 | ALDH1A1 (0.35) | ALDH1A1KDM4ESMN1; SMN2PDE4APDE4B | |
| SCHEMBL6556371 | 0.78 | PDE4B (0.31) | ALDH1A1KDM4ESMN1; SMN2PDE4APDE4B | |
| SCHEMBL6556445 | 0.69 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6558346 | 0.68 | SLC6A2 (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6556202 | 0.68 | SLC6A2 (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6556205 | 0.68 | SLC6A2 (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6556208 | 0.68 | SLC6A2 (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6558339 | 0.68 | SLC6A2 (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6558550 | 0.68 | SLC6A2 (0.36) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27450323 | 0.66 | CHRM2 (0.36) | — |
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 |