Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL446851 | 1.00 | CYP2D6 (0.36) | CYP2D6CYP2C19CYP19A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL448452 | 0.84 | — | — | |
| SCHEMBL6254118 | 0.82 | CYP2D6 (0.35) | CYP2D6CYP2C19 | |
| SCHEMBL5861860 | 0.78 | CYP2D6 (0.35) | CYP2D6CYP2C19 | |
| SCHEMBL5322625 | 0.75 | ALDH1A1 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL9705137 | 0.75 | CYP2D6 (0.37) | CYP2D6CYP2C19CYP19A1 | |
| SCHEMBL15781887 | 0.69 | CYP2D6 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL11740261 | 0.69 | MAOB (0.36) | — | |
| SCHEMBL17479537 | 0.69 | ELANE (0.40) | — | |
| SCHEMBL16034793 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016172386-A1 | ENZYME-RESPONSIVE NANOPARTICLES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-10-27 | — | — | WO | disclosed |
| WO-2016023036-A1 | HIGH DENSITY PEPTIDE POLYMERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-02-11 | — | — | WO | disclosed |