Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.32 |
| ▸ | GLP1R | P43220 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL2311690 | 0.87 | GNRHR (0.35) | — | |
| SCHEMBL2356247 | 0.85 | MAPT (0.31) | GRIN1GRIN2BDPP4MAPT | |
| SCHEMBL2308354 | 0.84 | S1PR3 (0.33) | S1PR3GLP1RRENKCNH2 | |
| SCHEMBL2313425 | 0.83 | GNRHR (0.39) | FEN1S1PR3GRIN1GRIN2B | |
| SCHEMBL2313391 | 0.81 | S1PR3 (0.34) | S1PR3GLP1R | |
| SCHEMBL2309555 | 0.76 | FEN1 (0.48) | FEN1TRPA1S1PR3GRIN1GRIN2B | |
| SCHEMBL2310390 | 0.76 | CYP2C9 (0.39) | — | |
| SCHEMBL3380867 | 0.74 | CYP2C9 (0.36) | GRIN1GRIN2B | |
| SCHEMBL2306989 | 0.74 | S1PR3 (0.35) | S1PR3GLP1R | |
| SCHEMBL2312871 | 0.73 | CYP2C9 (0.39) | S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | claimed |