Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 7/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1818697 | 0.95 | GRM2 (0.42) | GRM2KMOTGFBR1ACHEMAPK1 | |
| SCHEMBL1816075 | 0.83 | ADORA2A (0.48) | TGFBR1KDM4EACHEALDH1A1 | |
| SCHEMBL1819085 | 0.77 | GRM2 (0.44) | GRM2KMOTGFBR1ACHEMAPK1 | |
| Urea SCHEMBL12079261 | 0.73 | GRM2 (0.44) | GRM2KMOMAPTACHECDC7 | |
| Urea SCHEMBL12079262 | 0.71 | GRM2 (0.41) | GRM2KMOKDM4EMAPTMAPK1 | |
| SCHEMBL3390029 | 0.70 | F2 (0.43) | TGFBR1KDM4E | |
| SCHEMBL12090592 | 0.69 | ACP1 (0.53) | TGFBR1 | |
| SCHEMBL12090613 | 0.69 | ACP1 (0.48) | GRM2TGFBR1GSK3AGSK3B | |
| SCHEMBL12090572 | 0.69 | ACP1 (0.50) | TGFBR1 | |
| SCHEMBL12090568 | 0.69 | ACP1 (0.51) | GRM2KMOTGFBR1 |
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-2011054433-A1 | HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |