Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12527219 | 1.00 | CA12 (0.43) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL3119352 | 0.89 | CA12 (0.45) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL5879121 | 0.86 | L3MBTL1 (0.47) | CA12CA1CA9CYP17A1ATR | |
| SCHEMBL3786493 | 0.86 | L3MBTL1 (0.44) | CA12CA1CA9CYP17A1ATR | |
| SCHEMBL6301414 | 0.84 | CA12 (0.44) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL29137052 | 0.83 | HDAC3 (0.44) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL29137075 | 0.82 | HDAC3 (0.43) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL29302330 | 0.82 | HDAC3 (0.43) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL29950942 | 0.82 | CA12 (0.40) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL13623138 | 0.82 | NPC1 (0.43) | CA12CA1CA9HDAC3HDAC1 |
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 |