Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29586879 | 1.00 | EGLN1 (0.39) | EGLN1HDAC3HDAC1HDAC2HSD17B10 | |
| SCHEMBL29587242 | 0.83 | EGLN1 (0.43) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL24496754 | 0.83 | EGLN1 (0.43) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL29587237 | 0.83 | CYP4F2 (0.44) | HDAC3HDAC1HDAC2HSD17B10KMT2A | |
| SCHEMBL29587197 | 0.82 | PPARG (0.43) | HDAC3HDAC1HDAC2HSD17B10KMT2A | |
| SCHEMBL29587290 | 0.81 | HDAC3 (0.51) | HDAC3HDAC1HDAC2RAB9AALDH1A1 | |
| SCHEMBL24496755 | 0.81 | EGLN1 (0.42) | EGLN1HDAC3HDAC1HDAC2KMT2A | |
| SCHEMBL29587342 | 0.81 | CYP4F2 (0.35) | HDAC3HDAC1HDAC2KMT2AMEN1 | |
| Lithium Ion SCHEMBL29586769 | 0.80 | EGLN1 (0.41) | EGLN1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL29586811 | 0.79 | MAOB (0.43) | HDAC3HDAC1HDAC2HSD17B10GRM5 |
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 |