Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9205885 | 0.84 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2D6CYP2C19BACE1 | |
| SCHEMBL9212202 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2D6CYP2C19BACE1 | |
| SCHEMBL9400049 | 0.82 | CYP3A4 (0.33) | CYP3A4CYP2C9CYP2D6CYP2C19BACE1 | |
| SCHEMBL9400010 | 0.81 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2D6CYP2C19BACE1 | |
| SCHEMBL9205562 | 0.80 | — | — | |
| SCHEMBL9206665 | 0.80 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2D6CYP2C19BACE1 | |
| SCHEMBL9207546 | 0.78 | GABRP (0.31) | — | |
| SCHEMBL9206842 | 0.75 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9207364 | 0.73 | — | — | |
| SCHEMBL9205339 | 0.73 | KCNH2 (0.35) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5157029-A | Insecticides, miticides | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-10-20 | — | — | US | disclosed |
| US-5057508-A | Bicyclo(2-2-1)octanes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1991-10-15 | — | — | US | disclosed |