Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL1459319 | 0.89 | CYP3A4 (0.34) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL1128050 | 0.88 | CYP3A4 (0.33) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL2814949 | 0.82 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL112221 | 0.79 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL403882 | 0.77 | GABRA1 (0.38) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL7747680 | 0.77 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2 | |
| Water SCHEMBL27841311 | 0.75 | GABRA1 (0.37) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL28344084 | 0.74 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL57779 | 0.74 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL29010423 | 0.73 | CYP3A4 (0.32) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0652906-B1 | METHOD OF MODIFYING POLYMERS | HENKEL KGAA (DE) | 1997-09-17 | — | — | EP | disclosed |
| EP-0652906-A1 | METHOD OF MODIFYING POLYMERS. | HENKEL KGAA (DE) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994003523-A1 | METHOD OF MODIFYING POLYMERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1994-02-17 | — | — | WO | disclosed |