Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3504063 | 0.94 | MAP2K1 (0.55) | CA1CA2MAP2K1CA12CA9 | |
| SCHEMBL3504066 | 0.94 | MAP2K1 (0.55) | CA1CA2MAP2K1CA12CA9 | |
| SCHEMBL3204645 | 0.83 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29550379 | 0.83 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| Bromide SCHEMBL7547474 | 0.81 | MAP1LC3B (0.46) | CA1MAP2K1CA12CA9ALDH1A1 | |
| SCHEMBL30453914 | 0.81 | CA1 (0.58) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29396685 | 0.81 | CA1 (0.58) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL12841581 | 0.79 | CA9 (0.50) | CA1CA2MAP2K1CA12CA9 | |
| SCHEMBL16383357 | 0.77 | CA1 (0.63) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29845374 | 0.77 | MAP2K1 (0.42) | CA1MAP2K1CA12CA9ALDH1A1 |
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-2734500-A2 | HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE | The General Hospital Corporation (US) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013013113-A2 | HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE | THE GENERAL HOSPITAL CORPORATION (US) | 2013-01-24 | — | — | WO | disclosed |