Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K8 | P41279 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15220094 | 0.84 | MAP3K8 (0.53) | MAP3K8PIK3CAPIK3CGKCNH2PIK3CD | |
| SCHEMBL308582 | 0.82 | MAP3K8 (0.51) | MAP3K8PIK3CAPIK3CGKCNH2PIK3CD | |
| SCHEMBL14953514 | 0.74 | MAP3K8 (0.44) | MAP3K8PIK3CAPIK3CGKCNH2PIK3CD | |
| SCHEMBL7121628 | 0.73 | NPC1 (0.47) | MAP3K8PIK3CAKCNH2NPC1RAB9A | |
| SCHEMBL13166726 | 0.71 | MAP3K8 (0.42) | MAP3K8PIK3CAPIK3CGPIK3CDPIP5K1C | |
| SCHEMBL13975961 | 0.70 | GRIN3B (0.46) | CDK4CCND1GRIN3BGRIN1GRIN2C | |
| SCHEMBL13976073 | 0.70 | GRIN3B (0.46) | CDK4CCND1GRIN3BGRIN1GRIN2C | |
| SCHEMBL24837292 | 0.69 | EGFR (0.39) | PDGFRBPDGFRA | |
| SCHEMBL24391687 | 0.69 | KRAS (0.39) | — | |
| SCHEMBL15220212 | 0.67 | RAB9A (0.62) | MAP3K8NPC1RAB9AKMT2ATDP1 |
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-2012008563-A1 | NITROGENATED AROMATIC HETEROCYCLIC RING DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2012-01-19 | — | — | WO | disclosed |