Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | SGK1 | O00141 | 4/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082685 | 0.91 | IDO1 (0.40) | IDO1TDO2ALDH1A1SGK1PIK3CA | |
| SCHEMBL8104712 | 0.89 | IDO1 (0.40) | IDO1TDO2ALDH1A1NAMPTSGK1 | |
| SCHEMBL8091143 | 0.88 | KIF11 (0.36) | ALDH1A1MAPTNAMPTSGK1PIK3CA | |
| SCHEMBL8100136 | 0.87 | NAMPT (0.41) | ALDH1A1MAPTNAMPTPIK3CAMTOR | |
| SCHEMBL8083200 | 0.86 | ALDH1A1 (0.43) | IDO1TDO2ALDH1A1NAMPTPIK3CA | |
| SCHEMBL8083416 | 0.84 | PIK3R1 (0.39) | IDO1TDO2ALDH1A1MAPTNAMPT | |
| SCHEMBL8097966 | 0.84 | KIF11 (0.37) | IDO1TDO2ALDH1A1MAPTNAMPT | |
| SCHEMBL8083616 | 0.81 | ATR (0.42) | ALDH1A1MAPTPIK3CAMTORKIF11 | |
| SCHEMBL8090834 | 0.81 | KIF11 (0.35) | IDO1TDO2ALDH1A1MAPTKIF11 | |
| SCHEMBL8091634 | 0.81 | KIF11 (0.34) | ALDH1A1MAPTSMN1; SMN2PIK3CAMTOR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |