Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.44 |
| ▸ | RELA | Q04206 | 5/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | RORA | P35398 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29586852 | 0.88 | ALDH1A1 (0.47) | HDAC1ALDH1A1HTTPFKFB3TSHR | |
| SCHEMBL29587217 | 0.82 | NFKB1 (0.52) | HDAC1TSHRNFKB1NFKB2RELA | |
| SCHEMBL4672292 | 0.74 | HPGD (0.50) | HTR6NFKB1NFKB2RELA | |
| SCHEMBL24496758 | 0.72 | HDAC3 (0.52) | HDAC1TSHRNFKB1NFKB2RELA | |
| SCHEMBL29587707 | 0.72 | HDAC3 (0.52) | HDAC1TSHRNFKB1NFKB2RELA | |
| SCHEMBL24496757 | 0.72 | HDAC3 (0.52) | HDAC1TSHRNFKB1NFKB2RELA | |
| SCHEMBL4670076 | 0.72 | ADRB3 (0.44) | — | |
| SCHEMBL14417474 | 0.71 | HDAC1 (0.57) | HDAC1ALDH1A1HTTPFKFB3TSHR | |
| SCHEMBL29588093 | 0.71 | NFKB1 (0.48) | TSHRNFKB1NFKB2RELANPY5R | |
| SCHEMBL24496726 | 0.69 | MCHR1 (0.52) | HDAC1HTTNFKB1NFKB2RELA |
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 |