Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 13/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24006927 | 0.87 | BRD4 (0.63) | BRD4POLBBRD2BRD3BRDT | |
| SCHEMBL21787800 | 0.77 | BRD4 (0.68) | BRD4BRD2BRD3BRDT | |
| SCHEMBL21787793 | 0.76 | BRD4 (0.40) | BRD4POLBGAAL3MBTL1ALDH1A1 | |
| SCHEMBL21787790 | 0.75 | BRD4 (0.70) | BRD4POLBGAABRD2BRD3 | |
| SCHEMBL21787789 | 0.75 | BRD4 (0.70) | BRD4POLBGAABRD2BRD3 | |
| SCHEMBL21776776 | 0.75 | BRD4 (0.67) | BRD4TDP1L3MBTL1ALDH1A1BRD2 | |
| SCHEMBL12494900 | 0.72 | ALDH1A1 (0.44) | POLBGAAL3MBTL1ALDH1A1 | |
| SCHEMBL24006876 | 0.72 | BRD4 (0.48) | BRD4BRD2BRD3BRDT | |
| SCHEMBL21787943 | 0.70 | BRD4 (0.45) | BRD4TDP1CA12CA1CA2 | |
| SCHEMBL21787719 | 0.69 | BRD4 (0.66) | BRD4POLBALDH1A1BRD2BRD3 |
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-2020043821-A1 | FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2020-03-05 | — | — | WO | disclosed |