Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL3150036 | 1.00 | CYP3A4 (0.43) | CYP3A4ABCB1PTPN1 | |
| SCHEMBL3630532 | 1.00 | CYP3A4 (0.43) | CYP3A4ABCB1PTPN1 | |
| SCHEMBL14458059 | 0.77 | ABCB1 (0.30) | ABCB1 | |
| SCHEMBL19657437 | 0.75 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL11845051 | 0.73 | — | — | |
| SCHEMBL15908513 | 0.73 | — | — | |
| SCHEMBL7702140 | 0.71 | ABCB1 (0.36) | CYP3A4ABCB1 | |
| SCHEMBL11592365 | 0.71 | ABCB1 (0.36) | CYP3A4ABCB1 | |
| SCHEMBL11451525 | 0.67 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL7759177 | 0.67 | ABCB1 (0.30) | ABCB1 |
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-0691325-B1 | Asymmetric hydrogenation of ketoisophorone derivatives | HOFFMANN LA ROCHE (CH) | 1998-04-15 | — | — | EP | disclosed |
| US-5543559-A | USING A RHODIUM CATALYST HAVING AN OPTICALLY ACTIVE PIPHOSPHINE LIGAND | HOFFMAN-LA ROCHE INC. (US) | 1996-08-06 | — | — | US | disclosed |
| EP-0691325-A1 | Asymmetric hydrogenation of ketoisophorone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-01-10 | — | — | EP | disclosed |