Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 6/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27690392 | 0.85 | KMO (0.46) | KMO | |
| SCHEMBL27849935 | 0.75 | ROCK1 (0.40) | KDM4EROCK1CDC7CCNE1CDK2 | |
| SCHEMBL30521607 | 0.72 | ADORA3 (0.42) | PARP1KDM4EROCK1KDM4BKDM5C | |
| SCHEMBL163293 | 0.72 | MKNK1 (0.38) | KMOPARP1KDM4EROCK1KDM4B | |
| SCHEMBL669901 | 0.72 | MKNK1 (0.42) | KMOPARP1ROCK1KDM4BKDM5C | |
| SCHEMBL163294 | 0.72 | KDM4E (0.37) | KMOPARP1KDM4EROCK1KDM4B | |
| SCHEMBL3906535 | 0.72 | ADORA3 (0.42) | PARP1KDM4EROCK1KDM4BKDM5C | |
| SCHEMBL1206986 | 0.71 | MAP4K4 (0.40) | KMOPARP1ROCK1KDM4BKDM5C | |
| SCHEMBL2465653 | 0.71 | KMT2A (0.50) | PARP1MAP4K4L3MBTL1 | |
| SCHEMBL2801014 | 0.71 | PARP1 (0.35) | KMOPARP1KDM4EROCK1KDM4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-101056866-A | 4-arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators | BRISTOL MYERS SQUIBB CO (US) | 2007-10-17 | — | — | CN | disclosed |