Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 4/20 | 0.35 |
| ▸ | POLQ | O75417 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6163500 | 0.83 | CYP1A2 (0.46) | CYP1A2GRM5POLQ | |
| SCHEMBL6166255 | 0.76 | PARP1 (0.35) | — | |
| SCHEMBL6167324 | 0.75 | BRD4 (0.38) | CYP1A2BRD4 | |
| SCHEMBL6165166 | 0.74 | USP19 (0.33) | POLQ | |
| SCHEMBL6166383 | 0.74 | KDM1A (0.34) | POLQ | |
| SCHEMBL6167448 | 0.74 | CYP1A2 (0.39) | CYP1A2GRM5RAB9A | |
| SCHEMBL6163427 | 0.74 | POLL (0.34) | POLQ | |
| SCHEMBL6165739 | 0.73 | AURKA (0.31) | GRM5NPC1RAB9A | |
| SCHEMBL6167609 | 0.72 | CDC7 (0.37) | — | |
| SCHEMBL6161815 | 0.72 | ADORA1 (0.38) | NPC1RAB9A |
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 4 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 |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |