Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 5/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956706 | 0.91 | CA12 (0.48) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL26508718 | 0.87 | CYP17A1 (0.56) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL5425869 | 0.84 | CA12 (0.49) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL2981356 | 0.84 | CA12 (0.49) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL17903007 | 0.84 | CA12 (0.55) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL31192035 | 0.84 | CA12 (0.49) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL941486 | 0.83 | HPGD (0.51) | CA12CA1CA9CYP17A1SYK | |
| SCHEMBL30681937 | 0.83 | HPGD (0.51) | CA12CA1CA9CYP17A1SYK | |
| SCHEMBL10013751 | 0.83 | CA12 (0.48) | CA12CA1CA9CYP17A1MAP4K4 | |
| SCHEMBL17790710 | 0.83 | CA12 (0.48) | CA12CA1CA9CYP17A1MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |