Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528460 | 0.79 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL5699611 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRFGFR4 | |
| SCHEMBL28621037 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TSHRFGFR4 | |
| SCHEMBL8529532 | 0.74 | HSD17B10 (0.30) | ALDH1A1TSHR | |
| SCHEMBL3701495 | 0.74 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL203010 | 0.73 | — | — | |
| SCHEMBL28542660 | 0.72 | TSHR (0.31) | TSHR | |
| Ethylenediamine SCHEMBL515314 | 0.71 | TSHR (0.35) | ALDH1A1TSHRFGFR4 | |
| SCHEMBL3360475 | 0.71 | — | — | |
| SCHEMBL8962640 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114316136-B | Hydrogen bond enhanced hydrate inhibitor and preparation method thereof | 西华师范大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-114316136-A | Hydrogen bond enhanced hydrate inhibitor and preparation method thereof | 西华师范大学 | 2022-04-12 | — | — | CN | disclosed |