Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.42 |
| ▸ | FEN1 | P39748 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6168381 | 0.86 | NPC1 (0.47) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL6163378 | 0.85 | NPC1 (0.39) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL6610946 | 0.81 | PTPN1 (0.46) | CYP1A2CYP2C19HPGDALDH1A1NPC1 | |
| SCHEMBL6608326 | 0.79 | HDAC3 (0.42) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL21696574 | 0.77 | NOTUM (0.62) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL6613645 | 0.77 | MAPT (0.44) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL6167181 | 0.69 | PDE7A (0.43) | HDAC3HDAC1HDAC2HDAC10HDAC8 | |
| SCHEMBL12002394 | 0.69 | NOTUM (0.58) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL30046120 | 0.68 | NOTUM (0.47) | CYP1A2CYP2C19CYP2D6CYP2C9HDAC3 | |
| SCHEMBL5869159 | 0.68 | HDAC6 (0.41) | CYP1A2CYP2C19HDAC3HDAC1HDAC2 |
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-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |