Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK3 | Q9Y572 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | SLC34A1 | Q06495 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 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 | |
|---|---|---|---|---|
| SCHEMBL6166453 | 0.83 | ALDH1A1 (0.39) | ALDH1A1SLC34A1MAPTHPGDKMT2A | |
| SCHEMBL6166050 | 0.83 | HTT (0.47) | RIPK3ALDH1A1MAPK10BUB1CDC7 | |
| SCHEMBL6165490 | 0.81 | LMNA (0.49) | ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL6167558 | 0.80 | BRD4 (0.31) | BRD4CREBBPEP300PGRNR3C2 | |
| SCHEMBL6165983 | 0.77 | ATM (0.44) | ALDH1A1MAPTHPGDKMT2ABRD4 | |
| SCHEMBL6166254 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDKMT2ABRD4 | |
| SCHEMBL6164086 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTHPGDKMT2ABRD4 | |
| SCHEMBL6163581 | 0.74 | CYP1A2 (0.36) | ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL6164339 | 0.72 | HTT (0.34) | BRD4CREBBPEP300 | |
| SCHEMBL6165037 | 0.72 | MAOB (0.42) | ALDH1A1MAPTKMT2AMAOB |
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 |