Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27680902 | 0.82 | CYP1A2 (0.40) | PDE4DKDM4EKDR | |
| SCHEMBL27685979 | 0.82 | CYP1A2 (0.40) | PDE4DKDM4EKDR | |
| SCHEMBL27682787 | 0.80 | CYP1A2 (0.46) | NPC1RAB9A | |
| SCHEMBL27680908 | 0.79 | IDO1 (0.40) | NPC1RAB9A | |
| SCHEMBL15637445 | 0.73 | PDE4D (0.51) | PDE4DKDM4ENPC1RAB9APDE4A | |
| SCHEMBL27892251 | 0.72 | CDK2 (0.43) | — | |
| SCHEMBL5058415 | 0.72 | DRD2 (0.59) | KDM4E | |
| SCHEMBL27682784 | 0.72 | NPC1 (0.41) | NPC1RAB9A | |
| SCHEMBL21358247 | 0.72 | — | — | |
| SCHEMBL1336667 | 0.70 | CHRNB4 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101010318-A | 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |