Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.41 |
| ▸ | MTOR | P42345 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8081909 | 0.98 | CA12 (0.41) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8092188 | 0.93 | PIK3CA (0.45) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8096200 | 0.91 | EPHX1 (0.47) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8095567 | 0.90 | PIK3CD (0.45) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8084603 | 0.89 | PIK3CA (0.46) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8098306 | 0.88 | CA12 (0.42) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL8093447 | 0.88 | MTOR (0.43) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| SCHEMBL8091090 | 0.87 | PIK3CD (0.45) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8084799 | 0.86 | PIK3CA (0.51) | RAB9APIK3CAMTORPIK3CDPIK3CB | |
| SCHEMBL8084016 | 0.86 | CA12 (0.41) | CA12CA1CA2CA9EPHX1 |
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 |