Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 6/20 | 0.36 |
| ▸ | WDR5 | P61964 | 12/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2306426 | 0.88 | CYP2C9 (0.35) | S1PR3WDR5 | |
| SCHEMBL2306989 | 0.88 | S1PR3 (0.35) | S1PR3 | |
| SCHEMBL1364240 | 0.82 | S1PR3 (0.42) | S1PR3WDR5PDE2A | |
| SCHEMBL2313391 | 0.79 | S1PR3 (0.34) | S1PR3 | |
| SCHEMBL1364329 | 0.77 | S1PR3 (0.38) | S1PR3WDR5 | |
| SCHEMBL1366190 | 0.76 | CYP2C9 (0.43) | S1PR3WDR5 | |
| SCHEMBL2308354 | 0.76 | S1PR3 (0.33) | S1PR3 | |
| SCHEMBL1364113 | 0.76 | S1PR3 (0.37) | S1PR3WDR5 | |
| SCHEMBL3380867 | 0.74 | CYP2C9 (0.36) | WDR5 | |
| SCHEMBL2310390 | 0.74 | CYP2C9 (0.39) | PDE2A |
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-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |