Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11468798 | 0.86 | CYP3A4 (0.40) | CYP3A4TRPA1TSHR | |
| SCHEMBL374655 | 0.83 | CYP3A4 (0.40) | CYP3A4TRPA1TSHR | |
| SCHEMBL3440189 | 0.81 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL300705 | 0.75 | CYP3A4 (0.44) | CYP3A4TRPA1 | |
| SCHEMBL28036817 | 0.73 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL20145 | 0.72 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL30520271 | 0.72 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL365140 | 0.72 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL8491592 | 0.71 | CYP3A4 (0.44) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL532582 | 0.71 | CYP3A4 (0.42) | CYP3A4TRPA1TSHR |
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-20040162385-A1 | Reactive polyurethanes having reduced diisocyanate monomer content | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2004-08-19 | — | — | US | disclosed |