Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPR3 | P17342 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 3/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | PRKX | P51817 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 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 | |
|---|---|---|---|---|
| SCHEMBL6529544 | 1.00 | NPR3 (0.41) | NPR3KDM4EELANEKCNH3CDC7 | |
| SCHEMBL6530469 | 0.83 | NPR3 (0.55) | NPR3ELANEKCNH3CYP2C9CYP2C19 | |
| SCHEMBL6530463 | 0.83 | NPR3 (0.55) | NPR3ELANEKCNH3CYP2C9CYP2C19 | |
| SCHEMBL6529452 | 0.82 | CDC7 (0.44) | NPR3ELANEKCNH3CDC7CDK2 | |
| SCHEMBL6529455 | 0.82 | CDC7 (0.44) | NPR3ELANEKCNH3CDC7CDK2 | |
| SCHEMBL6527960 | 0.81 | NPR3 (0.43) | NPR3ELANEKCNH3GSK3BCDK5 | |
| SCHEMBL6527972 | 0.81 | NPR3 (0.43) | NPR3ELANEKCNH3GSK3BCDK5 | |
| SCHEMBL6529989 | 0.81 | MEN1 (0.52) | NPR3KCNH3CDK2GSK3BCDK5 | |
| SCHEMBL6529995 | 0.81 | MEN1 (0.52) | NPR3KCNH3CDK2GSK3BCDK5 | |
| SCHEMBL6530423 | 0.79 | ALDH1A1 (0.47) | KCNH3CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |