Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.51 |
| ▸ | ITGAV | P06756 | 4/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7377874 | 0.99 | TOP2A (0.53) | TOP2AALDH1A1ITGB3ITGAVNAMPT | |
| SCHEMBL11954569 | 0.95 | TOP2A (0.57) | TOP2AALDH1A1ITGB3ITGAVNOS2 | |
| SCHEMBL1602631 | 0.89 | TOP2A (0.56) | TOP2AALDH1A1NOS2LTA4HLMNA | |
| Hydrochloric Acid SCHEMBL15562708 | 0.88 | TOP2A (0.54) | TOP2AALDH1A1NOS2LTA4HLMNA | |
| Sulfuric Acid SCHEMBL14696970 | 0.87 | TOP2A (0.51) | TOP2AALDH1A1ITGB3ITGAVNOS2 | |
| SCHEMBL5856769 | 0.86 | ALDH1A1 (0.57) | ALDH1A1ITGB3ITGAVHDAC3HDAC4 | |
| SCHEMBL7926975 | 0.84 | HDAC4 (0.67) | ALDH1A1NOS2NSD2HPGDTDP1 | |
| SCHEMBL17713273 | 0.83 | TOP2A (0.44) | TOP2AALDH1A1NAMPTHPGDLTA4H | |
| SCHEMBL5855915 | 0.82 | ITGB3 (0.49) | TOP2AALDH1A1ITGB3ITGAVNOS2 | |
| SCHEMBL4398060 | 0.80 | ITGB3 (0.68) | ITGB3ITGAVHDAC3HDAC4HDAC1 |
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-2014072714-A1 | NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LTD (GB) | 2014-05-15 | — | — | WO | disclosed |