Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TACR3 | P29371 | 12/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL1974247 | 0.89 | CYP2C9 (0.49) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1973987 | 0.89 | CYP2C9 (0.49) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1975366 | 0.87 | CYP2C9 (0.53) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1975594 | 0.86 | CYP2C9 (0.52) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1975827 | 0.85 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1973293 | 0.84 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1979352 | 0.83 | CYP2C9 (0.49) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1973905 | 0.80 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1943161 | 0.80 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1976621 | 0.79 | CYP2C9 (0.47) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 |
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-2011072691-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-23 | — | — | WO | disclosed |