Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL8677786 | 0.78 | CYP3A4 (0.33) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL7930419 | 0.78 | CYP3A4 (0.33) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL57779 | 0.78 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL7747680 | 0.75 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL28344084 | 0.73 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL2835593 | 0.72 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL18126140 | 0.72 | CYP3A4 (0.38) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL4650522 | 0.71 | CYP3A4 (0.33) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL2814949 | 0.70 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL28795111 | 0.68 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120116041-A1 | REACTIVE SYSTEMS CONTAINING FORMAMIDES | BAYER MATERIALSCIENCE AG (DE) | 2012-05-10 | — | — | US | disclosed |