Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6556325 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556556 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556318 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556486 | 0.89 | MAPT (0.40) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556148 | 0.89 | MAPT (0.40) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556155 | 0.89 | MAPT (0.40) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6556145 | 0.89 | MAPT (0.40) | ALDH1A1HTR6MAPTLMNATSHR | |
| SCHEMBL6557804 | 0.87 | MAOB (0.38) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL6557809 | 0.87 | MAOB (0.38) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL6557808 | 0.87 | MAOB (0.38) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 |
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 |