Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | POLQ | O75417 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL6164521 | 1.00 | TACR1 (0.33) | TACR1KDM1ABACE1POLQPTGS2 | |
| SCHEMBL6166383 | 0.84 | KDM1A (0.34) | TACR1KDM1ABACE1POLQRIPK1 | |
| SCHEMBL6166381 | 0.84 | KDM1A (0.34) | TACR1KDM1ABACE1POLQRIPK1 | |
| SCHEMBL6163503 | 0.79 | PTGS2 (0.40) | POLQPTGS2 | |
| SCHEMBL6163459 | 0.74 | HDAC9 (0.35) | POLQPTGS2 | |
| SCHEMBL6164181 | 0.73 | CCNA2 (0.40) | — | |
| SCHEMBL6164177 | 0.73 | CCNA2 (0.40) | — | |
| SCHEMBL6164936 | 0.72 | CDC7 (0.39) | PTGS2 | |
| SCHEMBL6165976 | 0.72 | ADORA1 (0.38) | — | |
| SCHEMBL6167776 | 0.71 | AURKA (0.31) | PTGS2 |
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-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |