Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 10/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13167150 | 1.00 | HDAC6 (0.52) | HDAC6CYP3A4HDAC1HDAC2CHEK2 | |
| SCHEMBL13167140 | 0.88 | HDAC6 (0.57) | HDAC6CYP3A4HDAC1HDAC2CHEK2 | |
| SCHEMBL14046729 | 0.84 | HDAC6 (0.53) | HDAC6CYP3A4HDAC1HDAC2CHEK2 | |
| SCHEMBL13167152 | 0.81 | F2 (0.59) | F2F10F7PLAUPRSS1 | |
| SCHEMBL29699362 | 0.78 | F2 (0.68) | F2F10F7PLAUPRSS1 | |
| SCHEMBL14259601 | 0.78 | F2 (0.68) | F2F10F7PLAUPRSS1 | |
| SCHEMBL20550627 | 0.78 | ALOX5 (0.64) | CYP3A4HDAC1HDAC2CHEK2F2 | |
| SCHEMBL28028783 | 0.76 | CHEK2 (0.60) | HDAC6CYP3A4HDAC1HDAC2CHEK2 | |
| SCHEMBL13167141 | 0.74 | PLAU (0.62) | HDAC6F2F10F7PLAU | |
| SCHEMBL1797691 | 0.73 | CHEK2 (0.64) | CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7517893-B2 | Bichalcophenes and their prodrugs as antiprotozoal agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2009-04-14 | — | — | US | disclosed |
| EP-1792613-A2 | Dicationic compounds which selectively recognize G-quadruplex DNA | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2007-06-06 | — | — | EP | disclosed |