Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CTSV | O60911 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 3/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 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 | |
|---|---|---|---|---|
| SCHEMBL6864924 | 1.00 | GSK3B (0.43) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6860151 | 1.00 | GSK3B (0.43) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6865292 | 1.00 | GSK3B (0.43) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6867603 | 0.99 | GSK3B (0.44) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6991740 | 0.96 | GSK3B (0.44) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6867285 | 0.94 | GSK3B (0.46) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6865687 | 0.89 | CTSV (0.43) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6867178 | 0.88 | CTSV (0.41) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6867979 | 0.83 | HRH3 (0.39) | GSK3BSIRT2SIRT1ADORA3ADORA2A | |
| SCHEMBL6871063 | 0.82 | PARP1 (0.36) | GSK3BALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109785-B1 | INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION | ZENTARIS AG (DE) | 2003-01-02 | — | — | EP | disclosed |