Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KCNH3 | Q9ULD8 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | NPR3 | P17342 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6529989 | 1.00 | MEN1 (0.52) | MEN1KMT2AKCNH3NPC1CDK5 | |
| SCHEMBL6529452 | 0.86 | CDC7 (0.44) | KCNH3NPC1CDK5CDK5R1NPR3 | |
| SCHEMBL6529455 | 0.86 | CDC7 (0.44) | KCNH3NPC1CDK5CDK5R1NPR3 | |
| SCHEMBL6530463 | 0.83 | NPR3 (0.55) | KCNH3NPR3POLBCYP2C9CYP2C19 | |
| SCHEMBL6530469 | 0.83 | NPR3 (0.55) | KCNH3NPR3POLBCYP2C9CYP2C19 | |
| SCHEMBL6527960 | 0.83 | NPR3 (0.43) | MEN1KMT2AKCNH3NPC1CDK5 | |
| SCHEMBL6527972 | 0.83 | NPR3 (0.43) | MEN1KMT2AKCNH3NPC1CDK5 | |
| SCHEMBL6530423 | 0.83 | ALDH1A1 (0.47) | KCNH3GBA1CYP2C9CYP2C19 | |
| SCHEMBL6530426 | 0.83 | ALDH1A1 (0.47) | KCNH3GBA1CYP2C9CYP2C19 | |
| SCHEMBL6529544 | 0.81 | NPR3 (0.41) | MEN1KMT2AKCNH3CDK5NPR3 |
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 |