Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24631177 | 0.79 | NPSR1 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL24790224 | 0.79 | IDO1 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL20154947 | 0.77 | EPAS1 (0.45) | — | |
| SCHEMBL15067807 | 0.76 | IDO1 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL21362785 | 0.73 | ALOX5 (0.32) | — | |
| SCHEMBL20157878 | 0.73 | CHRNA7 (0.38) | KDM4E | |
| SCHEMBL20755891 | 0.72 | MAOA (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15566427 | 0.72 | IDO1 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL20384329 | 0.72 | KDM4E (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL20157450 | 0.71 | CA12 (0.38) | NPSR1KDM4E |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |