Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6526166 | 0.83 | KIF11 (0.47) | CA1CA2CA12CA4CA7 | |
| Hydroxyamine SCHEMBL7522361 | 0.79 | CA1 (0.50) | POLBCA1CA2CA12CA4 | |
| SCHEMBL6332338 | 0.78 | TBXA2R (0.47) | ALDH1A1CA1CA2CA12CA4 | |
| SCHEMBL13771643 | 0.77 | CA1 (0.50) | CA1CA2CA12CA4CA7 | |
| SCHEMBL6752171 | 0.72 | CA1 (0.50) | CA1CA2CA12CA4CA7 | |
| SCHEMBL10583534 | 0.71 | HDAC1 (0.53) | POLBTBXAS1 | |
| SCHEMBL10580753 | 0.71 | HDAC1 (0.53) | POLBTBXAS1 | |
| SCHEMBL27974022 | 0.70 | CA1 (0.54) | ALDH1A1CA1CA2CA12CA4 | |
| SCHEMBL10580642 | 0.69 | KMT2A (0.54) | ALDH1A1POLBTBXAS1 | |
| SCHEMBL10583115 | 0.69 | KMT2A (0.54) | ALDH1A1POLBTBXAS1 |
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-1565432-A1 | HISTONE DEACETYLASE INHIBITORS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004046094-A1 | HISTONE DEACETYLASE INHIBITORS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2004-06-03 | — | — | WO | disclosed |