Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL362479 | 0.89 | HDAC3 (0.30) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL370939 | 0.89 | KCNH2 (0.33) | — | |
| SCHEMBL363251 | 0.89 | KCNH2 (0.33) | — | |
| SCHEMBL363793 | 0.87 | CYP3A4 (0.35) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL363737 | 0.87 | CYP3A4 (0.35) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL363954 | 0.83 | HDAC6 (0.32) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL363663 | 0.80 | CYP1A1 (0.33) | CYP3A4CYP3A5MAPK1 | |
| SCHEMBL362569 | 0.80 | RORA (0.32) | — | |
| SCHEMBL362683 | 0.80 | ERN1 (0.38) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL364417 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |