Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3938614 | 0.99 | HDAC1 (0.40) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL4019734 | 0.97 | HDAC1 (0.43) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL3934001 | 0.96 | HDAC1 (0.42) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL3417244 | 0.96 | HDAC1 (0.42) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL13879863 | 0.92 | HDAC1 (0.37) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL19614861 | 0.89 | ERBB2 (0.41) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL23745120 | 0.89 | HDAC1 (0.55) | HDAC1HDAC2HDAC8ERBB2 | |
| SCHEMBL3417370 | 0.88 | HDAC1 (0.39) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL16710976 | 0.88 | HDAC1 (0.39) | HDAC1HDAC2HDAC8GSK3BDYRK1A | |
| SCHEMBL17230049 | 0.87 | CYP17A1 (0.40) | HDAC1HDAC2HDAC8GSK3BDYRK1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637664-B2 | Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease | SPIROGEN SARL (CH) | 2014-01-28 | — | — | US | disclosed |