Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 8/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587169 | 0.91 | HDAC3 (0.45) | HDAC3HDAC1HDAC2LMNACYP4F2 | |
| SCHEMBL29587076 | 0.87 | SLC6A3 (0.39) | HDAC3HDAC1HDAC2RAB9ACYP4F2 | |
| SCHEMBL29587237 | 0.82 | CYP4F2 (0.44) | HDAC3HDAC1HDAC2POLBCYP4F2 | |
| SCHEMBL29586783 | 0.82 | HDAC3 (0.44) | HDAC3HDAC1HDAC2OPRK1SLC6A3 | |
| SCHEMBL29586900 | 0.82 | HDAC3 (0.44) | HDAC3HDAC1HDAC2OPRK1SLC6A3 | |
| SCHEMBL29587458 | 0.82 | HPGD (0.40) | HDAC3HDAC1HDAC2POLBRAB9A | |
| SCHEMBL24496752 | 0.81 | EGLN1 (0.39) | HDAC3HDAC1HDAC2POLBRAB9A | |
| SCHEMBL29587197 | 0.81 | PPARG (0.43) | HDAC3HDAC1HDAC2RAB9ACYP4F2 | |
| SCHEMBL29587342 | 0.81 | CYP4F2 (0.35) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL29587460 | 0.80 | SLC6A3 (0.39) | HDAC3HDAC1HDAC2SLC6A2SLC6A3 |
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 |