Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 5/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL29587242 | 1.00 | EGLN1 (0.43) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL24496755 | 0.89 | EGLN1 (0.42) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| Lithium Ion SCHEMBL29586769 | 0.88 | EGLN1 (0.41) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL29586879 | 0.83 | EGLN1 (0.39) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL24496752 | 0.83 | EGLN1 (0.39) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL24496643 | 0.79 | CYP4F2 (0.51) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL29587347 | 0.79 | CYP4F2 (0.51) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL27091891 | 0.78 | PPARG (0.48) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL29587412 | 0.76 | HDAC1 (0.59) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL24496697 | 0.74 | CYP4F2 (0.40) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 |
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 |