Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL5869154 | 0.80 | AAK1 (0.45) | GSK3BABCB1ABCC1MAP4K4AAK1 | |
| SCHEMBL651882 | 0.78 | HDAC1 (0.57) | ABCB1ABCC1MAPTHDAC1HDAC2 | |
| SCHEMBL10891251 | 0.76 | KMT2A (0.56) | GSK3BMAP4K4AURKAMAPTTHRB | |
| SCHEMBL13735115 | 0.75 | HDAC1 (0.55) | ABCB1ABCC1HDAC1HDAC2HDAC3 | |
| SCHEMBL21904832 | 0.75 | MGLL (0.50) | GSK3BATRHDAC1KMT2AMEN1 | |
| SCHEMBL10893843 | 0.74 | HSD17B10 (0.52) | GSK3BMAP4K4AURKAMAPTTHRB | |
| SCHEMBL19461144 | 0.74 | ERCC1 (0.45) | GSK3BATR | |
| SCHEMBL7467565 | 0.74 | AAK1 (0.61) | GSK3BABCB1ABCC1MAP4K4AAK1 | |
| SCHEMBL21904914 | 0.73 | L3MBTL1 (0.48) | ATRMAPTKMT2AMEN1KDM4E | |
| SCHEMBL20163155 | 0.72 | HDAC2 (0.58) | ABCB1ABCC1HDAC1HDAC2HDAC3 |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |