Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL6161815 | 0.83 | ADORA1 (0.38) | ADORA1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6163503 | 0.82 | PTGS2 (0.40) | ADORA1ALDH1A1HSD17B10MEN1TSHR | |
| SCHEMBL6164936 | 0.81 | CDC7 (0.39) | ALDH1A1 | |
| SCHEMBL6166844 | 0.81 | PARP1 (0.35) | ADORA1ALDH1A1HSD17B10PARP1MEN1 | |
| SCHEMBL6163459 | 0.80 | HDAC9 (0.35) | ALDH1A1KDM4EKMT2AMERTK | |
| SCHEMBL6165367 | 0.79 | EEF2K (0.32) | ALDH1A1KDM4EHSD17B10HPGDMEN1 | |
| SCHEMBL6164523 | 0.77 | — | — | |
| SCHEMBL6167206 | 0.77 | METAP2 (0.34) | — | |
| SCHEMBL6166715 | 0.76 | KCNK3 (0.39) | ADORA1HSD17B10LMNATSHRHTT | |
| SCHEMBL6167776 | 0.76 | AURKA (0.31) | KDM4ENPC1MAPTRAB9A |
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 |