Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6166066 | 0.81 | HDAC6 (0.37) | MAPTDRD2DRD3RETHDAC3 | |
| SCHEMBL5566520 | 0.76 | RXRA (0.32) | — | |
| SCHEMBL6166955 | 0.74 | HDAC6 (0.40) | MAPTDRD2DRD3HDAC3HDAC1 | |
| SCHEMBL6165406 | 0.73 | HDAC6 (0.39) | MAPTDRD2DRD3RETHDAC3 | |
| SCHEMBL6164325 | 0.73 | HDAC6 (0.40) | MAPTDRD2DRD3RETHDAC3 | |
| SCHEMBL6163299 | 0.72 | HDAC6 (0.38) | DRD2DRD3RETHDAC3HDAC1 | |
| SCHEMBL6164185 | 0.72 | HDAC6 (0.37) | DRD2DRD3RETHDAC3HDAC1 | |
| SCHEMBL6165382 | 0.72 | HDAC6 (0.38) | MAPTDRD2DRD3HDAC3HDAC1 | |
| SCHEMBL5869159 | 0.71 | HDAC6 (0.41) | MAPTDRD2DRD3HDAC3HDAC1 | |
| SCHEMBL6163761 | 0.68 | HDAC6 (0.41) | MAPTDRD2DRD3HDAC3HDAC1 |
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 |