Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 3/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8083200 | 0.91 | ALDH1A1 (0.43) | ALDH1A1PIK3CAPIK3R1CA2CA1 | |
| SCHEMBL8084155 | 0.90 | MAPT (0.39) | ALDH1A1PIK3CAPIK3R1CA2CA1 | |
| SCHEMBL8083334 | 0.90 | CA1 (0.41) | ALDH1A1PIK3CAPIK3R1CA2CA1 | |
| SCHEMBL8083973 | 0.87 | ALDH1A1 (0.43) | ALDH1A1PIK3CAPIK3R1CA2CA1 | |
| SCHEMBL8098812 | 0.84 | NPC1 (0.43) | ALDH1A1CA2CA1CA4CA9 | |
| SCHEMBL8084829 | 0.83 | ATR (0.41) | ALDH1A1PIK3CAMTORPIK3CGPIK3CD | |
| SCHEMBL8097966 | 0.83 | KIF11 (0.37) | ALDH1A1PIK3CAMTORPIK3CGNAMPT | |
| SCHEMBL8099408 | 0.83 | CA2 (0.42) | ALDH1A1PIK3CACA2CA1CA4 | |
| SCHEMBL8090391 | 0.82 | CA1 (0.41) | ALDH1A1PIK3CACA2CA1CA4 | |
| SCHEMBL8097426 | 0.82 | NAMPT (0.41) | ALDH1A1PIK3CACA2CA1CA4 |
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 |