Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1364706 | 0.90 | CYP2C9 (0.48) | S1PR3GRIN1GRIN2BCYP2C9CYP1A2 | |
| SCHEMBL1364253 | 0.88 | CYP2C9 (0.45) | S1PR3GRIN1GRIN2BCYP2C9TACR3 | |
| SCHEMBL7918066 | 0.84 | PPARG (0.39) | GRIN1GRIN2B | |
| SCHEMBL7914678 | 0.84 | POLB (0.36) | — | |
| SCHEMBL7911458 | 0.83 | KLKB1 (0.40) | L3MBTL1 | |
| SCHEMBL7914357 | 0.83 | TP53 (0.40) | S1PR3 | |
| SCHEMBL12151037 | 0.83 | S1PR3 (0.37) | S1PR3CYP2C9TACR3SCN9A | |
| SCHEMBL11920581 | 0.82 | GNRHR (0.39) | CYP2C9TACR3 | |
| SCHEMBL7911647 | 0.82 | GNRHR (0.42) | S1PR3GRIN1GRIN2B | |
| SCHEMBL2309555 | 0.81 | FEN1 (0.48) | S1PR3GRIN1GRIN2BFEN1TRPA1 |
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 |