Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | GHSR | Q92847 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215098 | 0.91 | PIK3CA (0.50) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL11924820 | 0.89 | CA12 (0.45) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8206190 | 0.85 | PIK3CD (0.43) | PIK3CAPIK3CDMTORKDM4EMEN1 | |
| SCHEMBL8098332 | 0.85 | PIK3CA (0.48) | PIK3CAPIK3CDMTORGHSRMEN1 | |
| SCHEMBL8211599 | 0.84 | PIK3CA (0.49) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8206186 | 0.84 | RAB9A (0.45) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8091889 | 0.82 | PIK3CA (0.48) | PIK3CAPIK3CDMTORGHSRKDM4E | |
| SCHEMBL8098323 | 0.82 | POLB (0.43) | PIK3CAPIK3CDMTORKDM4EMEN1 | |
| SCHEMBL11925866 | 0.82 | PIK3CA (0.48) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8098329 | 0.82 | PIK3CA (0.55) | PIK3CAPIK3CDMTOR |
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 |