Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 7/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 4/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6607127 | 0.85 | CFTR (0.38) | CFTRHDAC2AR | |
| SCHEMBL5563603 | 0.84 | AAK1 (0.39) | CFTRHDAC2HDAC3HDAC1 | |
| SCHEMBL6608119 | 0.82 | NPC1 (0.35) | IDO1 | |
| SCHEMBL6608014 | 0.81 | MAPT (0.39) | AR | |
| SCHEMBL27615871 | 0.81 | IDH2 (0.36) | CFTRHDAC2EPHX2AR | |
| SCHEMBL27597147 | 0.78 | PTGS2 (0.38) | CFTRIDO1EPHX2AR | |
| SCHEMBL17336740 | 0.76 | CFTR (0.41) | CFTRHDAC2AR | |
| SCHEMBL27597173 | 0.76 | CFTR (0.39) | CFTRHDAC2HDAC3HDAC1 | |
| SCHEMBL27597232 | 0.74 | CFTR (0.40) | CFTRHDAC2AR | |
| SCHEMBL5563935 | 0.73 | TAS2R14 (0.40) | CFTRHDAC2AR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100497333-C | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| CN-1633430-A | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2005-06-29 | — | — | CN | disclosed |
| 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 |