Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL30710203 | 0.83 | THRB (0.48) | ALDH1A1TDP1THRBEPHX1 | |
| SCHEMBL1472438 | 0.83 | THRB (0.48) | ALDH1A1TDP1THRBEPHX1 | |
| SCHEMBL2101563 | 0.82 | EPHX1 (0.41) | ALDH1A1THRBEPHX1 | |
| SCHEMBL2103885 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL21689831 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL25086738 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL2100134 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL2101722 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL2101949 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 | |
| SCHEMBL2101710 | 0.79 | EPHX1 (0.42) | ALDH1A1THRBEPHX1 |
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-3321261-A1 | HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES | Curis, Inc. (US) | 2018-05-16 | — | — | EP | disclosed |