Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28852996 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Acetonitrile SCHEMBL203210 | 0.81 | ALDH1A1 (0.38) | ALDH1A1 | |
| Water SCHEMBL28033927 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Acetonitrile SCHEMBL1170814 | 0.81 | ALDH1A1 (0.38) | ALDH1A1 | |
| Water SCHEMBL11589729 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Water SCHEMBL812316 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Water SCHEMBL104604 | 0.80 | — | — | |
| Water SCHEMBL20920097 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Water SCHEMBL27670879 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDHSD17B10 | |
| Water SCHEMBL812317 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3291810-B1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI FOUNDATION INC (US) | 2022-08-10 | — | — | EP | disclosed |