Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7198661 | 0.81 | GSK3B (0.58) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL6867398 | 0.79 | CDK4 (0.49) | SIRT2GSK3BKDM4EMEN1KMT2A | |
| SCHEMBL6997136 | 0.78 | MPO (0.45) | GSK3BDRD2DRD4DRD3ADRA1A | |
| SCHEMBL6995402 | 0.77 | KDM4E (0.41) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL7001531 | 0.77 | KDM4E (0.47) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL7001489 | 0.76 | SMN1; SMN2 (0.45) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL6866221 | 0.76 | SMN1; SMN2 (0.45) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL15797027 | 0.75 | GSK3B (0.53) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL15797189 | 0.75 | GSK3B (0.53) | SIRT2SIRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL6864424 | 0.74 | NQO1 (0.41) | SIRT2KDM4EMEN1KMT2AALDH1A1 |
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 |