Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6164477 | 0.87 | ABCG2 (0.43) | ALDH1A1LMNAMAPTNPSR1KMT2A | |
| SCHEMBL6770490 | 0.86 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTSRCGAA | |
| SCHEMBL6769517 | 0.86 | SRC (0.39) | ALDH1A1LMNASRCMEN1HSP90AA1 | |
| SCHEMBL6777711 | 0.82 | OPRM1 (0.45) | ALDH1A1LMNAMAPTSRCGAA | |
| SCHEMBL6771081 | 0.82 | ALDH1A1 (0.58) | ALDH1A1LMNAMAPTSRCGAA | |
| SCHEMBL6767198 | 0.81 | L3MBTL1 (0.44) | ALDH1A1LMNAMAPTGAANPSR1 | |
| SCHEMBL6770294 | 0.81 | SRC (0.36) | ALDH1A1LMNASRCSLC5A1CSNK2A2 | |
| SCHEMBL6771222 | 0.81 | OPRM1 (0.47) | ALDH1A1MAPTSRCMEN1KMT2A | |
| SCHEMBL6772480 | 0.80 | ALDH1A1 (0.67) | ALDH1A1LMNASRCGAANPSR1 | |
| SCHEMBL6770768 | 0.80 | SRC (0.41) | ALDH1A1LMNAMAPTSRCGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |