Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29586783 | 0.83 | HDAC3 (0.44) | NFKB1NFKB2RELACCNA2CDK2 | |
| SCHEMBL29586900 | 0.83 | HDAC3 (0.44) | NFKB1NFKB2RELACCNA2CDK2 | |
| SCHEMBL29587169 | 0.82 | HDAC3 (0.45) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL29587290 | 0.81 | HDAC3 (0.51) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL24496752 | 0.81 | EGLN1 (0.39) | CYP4F2CYP4A11HDAC3HDAC1HDAC2 | |
| SCHEMBL29586879 | 0.81 | EGLN1 (0.39) | CYP4F2CYP4A11HDAC3HDAC1HDAC2 | |
| SCHEMBL29587076 | 0.80 | SLC6A3 (0.39) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL24496697 | 0.78 | CYP4F2 (0.40) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL29586808 | 0.76 | ITGB3 (0.41) | NFKB1NFKB2RELAMEN1KMT2A | |
| SCHEMBL24496698 | 0.76 | CYP4F2 (0.49) | CYP4F2CYP4A11NFKB1NFKB2RELA |
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-2022120048-A1 | HDAC INHIBITORS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2022-06-09 | — | — | WO | disclosed |