Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8097518 | 0.98 | KDR (0.38) | KDREGFRERBB2METMERTK | |
| SCHEMBL8091129 | 0.95 | KDR (0.40) | KDREGFRERBB2METMERTK | |
| SCHEMBL8098135 | 0.89 | MTOR (0.39) | PIK3CAMTORATR | |
| SCHEMBL8090948 | 0.88 | CA12 (0.41) | KDRCA12CA1CA2CA9 | |
| SCHEMBL8084016 | 0.86 | CA12 (0.41) | KDRCA12CA1CA2CA9 | |
| SCHEMBL8083970 | 0.86 | NAMPT (0.39) | CA12CA1CA2CA9CA4 | |
| SCHEMBL8098808 | 0.86 | NAMPT (0.39) | CA12CA1CA2CA9CA4 | |
| SCHEMBL8096070 | 0.85 | MTOR (0.40) | PIK3CAMTORATR | |
| SCHEMBL8092294 | 0.85 | ROCK2 (0.39) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL8090873 | 0.85 | NAMPT (0.38) | CA12CA1CA2CA9RAB9A |
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 |