Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | TOP1 | P11387 | 2/20 | 0.35 |
| ▸ | HRAS | P01112 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4015028 | 0.90 | P2RY12 (0.44) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL5004528 | 0.89 | P2RY12 (0.43) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL4011460 | 0.87 | P2RY12 (0.42) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL24437401 | 0.86 | P2RY12 (0.47) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL14072167 | 0.83 | RPS6KA3 (0.39) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL14072258 | 0.80 | P2RY12 (0.45) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL30125597 | 0.80 | HDAC1 (0.49) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL23745119 | 0.79 | HDAC1 (0.53) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL4100605 | 0.79 | HDAC1 (0.46) | P2RY12MAPTTOP1HRASESR1 | |
| SCHEMBL14072171 | 0.79 | P2RY12 (0.39) | P2RY12MAPTTDP1RPS6KA3KDM4E |
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-1931671-A1 | ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [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 Limited (GB) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039752-A1 | ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [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 LIMITED (GB) | 2007-04-12 | — | — | WO | disclosed |