Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 14/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 14/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 14/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL14936829 | 0.87 | ROCK2 (0.39) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL29724760 | 0.85 | NPC1 (0.39) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL12288593 | 0.85 | NPC1 (0.39) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL12288591 | 0.84 | VNN1 (0.40) | HDAC6 | |
| SCHEMBL29724942 | 0.84 | VNN1 (0.40) | HDAC6 | |
| SCHEMBL19942160 | 0.82 | ROCK2 (0.33) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL12288592 | 0.82 | ROCK2 (0.40) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL29724793 | 0.82 | ROCK2 (0.40) | HDAC3HDAC1HDAC2HDAC6ROCK2 | |
| SCHEMBL14714309 | 0.78 | HDAC6 (0.39) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL14937337 | 0.76 | HDAC6 (0.42) | HDAC3HDAC1HDAC2HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011133888-A1 | CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | CYTOKINETICS, INC. (US) | 2011-10-27 | — | — | WO | disclosed |