Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.32 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL6610509 | 0.81 | GAA (0.37) | HDAC1MAPTGAAMAPK1HDAC2 | |
| SCHEMBL6611884 | 0.81 | HDAC1 (0.40) | HDAC1MAPTHTTHDAC2HDAC3 | |
| SCHEMBL6607127 | 0.80 | CFTR (0.38) | MAPTGAAMAPK1HTTHDAC2 | |
| SCHEMBL6164977 | 0.80 | AAK1 (0.38) | HDAC1HDAC2KCNQ3KCNQ2KCNQ4 | |
| SCHEMBL6609128 | 0.79 | DYRK1A (0.37) | HDAC1MAPTMAPK1KDM4EALDH1A1 | |
| SCHEMBL23882043 | 0.75 | KEAP1 (0.46) | MAPTGAAMAPK1KDM4ETHRB | |
| SCHEMBL20746120 | 0.74 | LMNA (0.42) | HDAC1MAPTMAPK1HTTKDM4E | |
| SCHEMBL2907046 | 0.71 | HDAC1 (0.41) | HDAC1GAAHTTHDAC2KDM4E | |
| SCHEMBL17779198 | 0.71 | GAA (0.40) | MAPTGAAMAPK1HTTKDM4E | |
| SCHEMBL1266865 | 0.70 | HDAC1 (0.68) | HDAC1HTTHDAC2HDAC3NCOR2 |
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 |