Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | PGK2 | P07205 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29953337 | 0.77 | TAAR1 (0.50) | ALDH1A1 | |
| SCHEMBL10211677 | 0.71 | CYP2D6 (0.39) | ALDH1A1 | |
| SCHEMBL29957198 | 0.70 | TAAR1 (0.46) | ALDH1A1 | |
| SCHEMBL3893595 | 0.67 | GPR3 (0.40) | — | |
| SCHEMBL29957524 | 0.67 | ESR1 (0.41) | ALDH1A1 | |
| SCHEMBL29952702 | 0.67 | HRH3 (0.36) | ALDH1A1 | |
| SCHEMBL20231823 | 0.65 | PGK1 (0.50) | PGK1PGK2ALDH1A1 | |
| SCHEMBL8133418 | 0.65 | PGK1 (0.39) | PGK1PGK2ALDH1A1 | |
| SCHEMBL12629117 | 0.63 | PGK1 (0.38) | PGK1PGK2 | |
| SCHEMBL29954468 | 0.63 | IDH1 (0.35) | PGK1PGK2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |