Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8092462 | 1.00 | PIK3CA (0.38) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8098658 | 0.92 | MAPT (0.37) | PIK3CAALDH1A1CA2CA9CA12 | |
| SCHEMBL8098657 | 0.92 | MAPT (0.37) | PIK3CAALDH1A1CA2CA9CA12 | |
| SCHEMBL8097581 | 0.88 | MAPT (0.38) | PIK3CAALDH1A1CA2CA9CA12 | |
| SCHEMBL8091937 | 0.87 | CA12 (0.39) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8100146 | 0.86 | CA1 (0.41) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8093158 | 0.85 | PIK3CA (0.38) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8084990 | 0.85 | CA1 (0.40) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8097426 | 0.84 | NAMPT (0.41) | PIK3CAMTORALDH1A1CA2CA9 | |
| SCHEMBL8089094 | 0.84 | PIK3CD (0.43) | PIK3CAMTORALDH1A1CA2CA9 |
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 |