Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 9/20 | 0.37 |
| ▸ | VCP | P55072 | 6/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6671586 | 0.89 | VCP (0.37) | AAK1VCPMAP3K5 | |
| SCHEMBL5558510 | 0.88 | AAK1 (0.47) | AAK1 | |
| SCHEMBL6868921 | 0.85 | MRGPRX4 (0.39) | AAK1VCPALDH1A1 | |
| SCHEMBL5557704 | 0.85 | AAK1 (0.37) | AAK1ALDH1A1 | |
| SCHEMBL6163555 | 0.83 | HDAC3 (0.40) | AAK1 | |
| SCHEMBL6164573 | 0.80 | NOTUM (0.36) | AAK1KDM4EALDH1A1 | |
| SCHEMBL6165695 | 0.79 | ABL1 (0.39) | AAK1 | |
| SCHEMBL7558106 | 0.78 | HCRTR1 (0.37) | VCPKDM4EALDH1A1 | |
| SCHEMBL7700580 | 0.78 | VCP (0.40) | VCP | |
| SCHEMBL6165152 | 0.78 | RAB9A (0.37) | AAK1KDM4EALDH1A1 |
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 |