Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL10584503 | 0.75 | CYP3A4 (0.42) | CYP3A4TRPA1 | |
| SCHEMBL10654055 | 0.74 | CYP3A4 (0.44) | CYP3A4TRPA1 | |
| SCHEMBL1045246 | 0.71 | CYP3A4 (0.59) | CYP3A4TRPA1 | |
| SCHEMBL375132 | 0.69 | CYP3A4 (0.57) | CYP3A4TRPA1 | |
| SCHEMBL1044718 | 0.69 | CYP3A4 (0.61) | CYP3A4TRPA1 | |
| SCHEMBL1191608 | 0.65 | CYP3A4 (0.57) | CYP3A4TRPA1 | |
| SCHEMBL9751041 | 0.65 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL9446491 | 0.63 | CYP3A4 (0.71) | CYP3A4TRPA1 | |
| SCHEMBL78958 | 0.63 | CYP3A4 (0.50) | CYP3A4TRPA1 | |
| SCHEMBL2148152 | 0.63 | CYP3A4 (0.50) | CYP3A4TRPA1 |
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-4794194-A | Alkenylated toluenediisocyanates for use in preparing polyurethane urea systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-12-27 | — | — | US | disclosed |