Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.44 |
| ▸ | IDH2 | P48735 | 1/20 | 0.41 |
| ▸ | NPR3 | P17342 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6529452 | 1.00 | CDC7 (0.44) | CDC7CDK19IDH2NPR3NPC1 | |
| SCHEMBL6529995 | 0.86 | MEN1 (0.52) | NPR3NPC1CDK5CDK5R1CYP2C9 | |
| SCHEMBL6529989 | 0.86 | MEN1 (0.52) | NPR3NPC1CDK5CDK5R1CYP2C9 | |
| SCHEMBL6530469 | 0.85 | NPR3 (0.55) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6530463 | 0.85 | NPR3 (0.55) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6530426 | 0.84 | ALDH1A1 (0.47) | CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6530423 | 0.84 | ALDH1A1 (0.47) | CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6527960 | 0.83 | NPR3 (0.43) | IDH2NPR3NPC1CDK5CDK5R1 | |
| SCHEMBL6527972 | 0.83 | NPR3 (0.43) | IDH2NPR3NPC1CDK5CDK5R1 | |
| SCHEMBL6529544 | 0.82 | NPR3 (0.41) | CDC7IDH2NPR3CDK5CYP2C9 |
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-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |