Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | SGK1 | O00141 | 15/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL8104712 | 0.93 | IDO1 (0.40) | IDO1TDO2SGK1ALDH1A1PIK3CA | |
| SCHEMBL8084965 | 0.91 | IDO1 (0.39) | IDO1TDO2SGK1ALDH1A1PIK3CA | |
| SCHEMBL8083416 | 0.90 | PIK3R1 (0.39) | IDO1TDO2SGK1ALDH1A1PIK3CA | |
| SCHEMBL8083200 | 0.87 | ALDH1A1 (0.43) | IDO1TDO2ALDH1A1PIK3CAMTOR | |
| SCHEMBL8090580 | 0.87 | NAMPT (0.39) | SGK1PIK3CAHDAC3MTORPIK3CG | |
| SCHEMBL8084982 | 0.86 | KIF11 (0.38) | IDO1TDO2ALDH1A1 | |
| SCHEMBL8097966 | 0.85 | KIF11 (0.37) | IDO1TDO2ALDH1A1PIK3CAMTOR | |
| SCHEMBL8090834 | 0.85 | KIF11 (0.35) | IDO1TDO2ALDH1A1 | |
| SCHEMBL8091026 | 0.82 | NAMPT (0.36) | IDO1TDO2ALDH1A1PIK3CAMTOR | |
| SCHEMBL8090786 | 0.82 | SGK1 (0.37) | SGK1ALDH1A1MTOR |
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 |