Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | EIF2S1 | P05198 | 1/20 | 0.35 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8096070 | 0.90 | MTOR (0.40) | ATRPIK3CANAMPTPIK3CDIGF1R | |
| SCHEMBL8098769 | 0.89 | NAMPT (0.39) | ROCK2CA12CA1CA2CA9 | |
| SCHEMBL8098135 | 0.89 | MTOR (0.39) | ATRPIK3CANAMPTPIK3CDIGF1R | |
| SCHEMBL8092270 | 0.88 | NPC1 (0.43) | ATRLIMK1PIK3CANPC1MTOR | |
| SCHEMBL8106295 | 0.88 | CA12 (0.42) | ROCK2CA12CA1CA2CA9 | |
| SCHEMBL8096681 | 0.87 | ATR (0.40) | ATRPIK3CANAMPTIGF1RMTOR | |
| SCHEMBL8091129 | 0.86 | KDR (0.40) | CA12CA1CA2CA9ATR | |
| SCHEMBL8091924 | 0.86 | NAMPT (0.39) | CA12CA1CA2CA9ATR | |
| SCHEMBL8097714 | 0.86 | NAMPT (0.39) | CA12CA1CA2CA9ATR | |
| SCHEMBL8098805 | 0.85 | PIK3CD (0.36) | ATRPIK3CANAMPTPIK3CDIGF1R |
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 |