Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21612026 | 0.84 | CYP2C19 (0.45) | CYP2C9CYP2C19 | |
| SCHEMBL30062380 | 0.84 | CYP2C19 (0.45) | CYP2C9CYP2C19 | |
| SCHEMBL21614764 | 0.76 | CYP2C19 (0.54) | CYP2C19 | |
| SCHEMBL21611956 | 0.75 | CYP2C19 (0.45) | CYP2C9CYP2C19 | |
| SCHEMBL21611920 | 0.74 | CYP2C19 (0.54) | CYP2C9CYP2C19P2RX3CSNK2A1 | |
| SCHEMBL21611984 | 0.74 | GRIN1 (0.48) | CYP2C19 | |
| SCHEMBL21614690 | 0.72 | CYP2C19 (0.61) | CYP2C9CYP2C19 | |
| SCHEMBL23611379 | 0.71 | GRIN1 (0.42) | CYP2C9CYP2C19 | |
| SCHEMBL30060456 | 0.71 | CYP2C19 (0.43) | CYP2C9CYP2C19 | |
| SCHEMBL21612041 | 0.70 | CYP2C19 (0.79) | CYP2C9CYP2C19 |
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-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | WO | disclosed |