Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.57 |
| ▸ | ACHE | P22303 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | CASP7 | P55210 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28878310 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL30025532 | 0.82 | ALDH1A1 (0.64) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL27296318 | 0.82 | ALDH1A1 (0.64) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL30918027 | 0.80 | ACHE (0.61) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL6833669 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL28220555 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL13943889 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL6530616 | 0.76 | TSHR (0.58) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL7523835 | 0.74 | GPR3 (0.54) | ALDH1A1KDM4EHSD17B10ACHEHPGD | |
| SCHEMBL29802894 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10ACHEHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102625799-A | Heterocyclic compounds and their uses | AMGEN INC | 2012-08-01 | — | — | CN | disclosed |