Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267377 | 0.93 | HDAC1 (0.40) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL13711157 | 0.93 | HDAC1 (0.40) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL3674630 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL17676680 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL8026867 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL1943013 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL13783718 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL10254350 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL15747003 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 | |
| SCHEMBL330255 | 0.91 | HDAC1 (0.39) | HDAC1HDAC8HDAC4CYP3A4ITGB3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225249-B1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | HOFFMANN LA ROCHE (CH) | 2016-08-03 | — | — | EP | disclosed |
| EP-2323981-B1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | HOFFMANN LA ROCHE (CH) | 2014-03-12 | — | — | EP | disclosed |
| WO-2010015545-A1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009124853-A1 | NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-15 | — | — | WO | disclosed |
| WO-2009080542-A1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |