Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPR3 | P17342 | 6/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 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 | |
|---|---|---|---|---|
| SCHEMBL6527923 | 1.00 | MAPK1 (0.41) | MAPK1HTTNPR3TAS1R3TAS1R1 | |
| SCHEMBL6508189 | 0.87 | KCNH3 (0.41) | MAPK1HTTNPR3TAS1R3TAS1R1 | |
| SCHEMBL6508192 | 0.87 | KCNH3 (0.41) | MAPK1HTTNPR3TAS1R3TAS1R1 | |
| SCHEMBL6530463 | 0.85 | NPR3 (0.55) | NPR3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6530469 | 0.85 | NPR3 (0.55) | NPR3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6529452 | 0.80 | CDC7 (0.44) | NPR3SYKCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6530078 | 0.80 | RORC (0.45) | CYP2C9CYP2C19CYP1A2KCNH3 | |
| SCHEMBL6529455 | 0.80 | CDC7 (0.44) | NPR3SYKCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6530084 | 0.80 | RORC (0.45) | CYP2C9CYP2C19CYP1A2KCNH3 | |
| SCHEMBL6528847 | 0.80 | SYK (0.43) | SYKCYP2C9CYP2C19MEN1KMT2A |
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 |