Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17157304 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19ABL1 | |
| SCHEMBL17172278 | 0.80 | NPY5R (0.41) | CYP3A4CYP2C9CYP2C19ABL1CYP2D6 | |
| SCHEMBL17157449 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19ABL1 | |
| SCHEMBL17172159 | 0.80 | ALOX5AP (0.42) | CYP3A4CYP2C9CYP2C19ABL1CYP1A2 | |
| SCHEMBL17172283 | 0.78 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19ABL1 | |
| SCHEMBL20596700 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19ABL1 | |
| SCHEMBL17157316 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19ABL1 | |
| SCHEMBL20609628 | 0.76 | ACACB (0.38) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL17157474 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL17157426 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19ABL1 |
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-2015160665-A1 | METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2015-10-22 | — | — | WO | disclosed |