Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TACR3 | P29371 | 10/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2148944 | 1.00 | CYP2C9 (0.45) | CYP2C9TACR3P2RX3GHSRGNRHR | |
| SCHEMBL11917808 | 0.94 | CYP2C9 (0.43) | CYP2C9TACR3P2RX3 | |
| SCHEMBL11917803 | 0.94 | CYP2C9 (0.43) | CYP2C9TACR3P2RX3 | |
| SCHEMBL2149057 | 0.90 | CYP2C9 (0.50) | CYP2C9TACR3GNRHR | |
| SCHEMBL7952906 | 0.89 | CYP2C9 (0.46) | CYP2C9TACR3 | |
| SCHEMBL11917812 | 0.89 | CYP2C9 (0.46) | CYP2C9TACR3 | |
| SCHEMBL2149840 | 0.88 | CYP2C9 (0.47) | CYP2C9TACR3GNRHR | |
| SCHEMBL11917807 | 0.86 | CYP2C9 (0.44) | CYP2C9TACR3 | |
| SCHEMBL11917804 | 0.86 | CYP2C9 (0.44) | CYP2C9TACR3 | |
| SCHEMBL2149459 | 0.85 | CYP2C9 (0.47) | CYP2C9TACR3 |
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-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |