Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 16/20 | 0.53 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20165868 | 0.89 | ESR1 (0.61) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| SCHEMBL20165122 | 0.89 | ESR1 (0.61) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| SCHEMBL20179622 | 0.88 | ESR1 (0.53) | ESR1AGTR2ESR2 | |
| SCHEMBL20179753 | 0.88 | ESR1 (0.53) | ESR1AGTR2ESR2 | |
| SCHEMBL20165121 | 0.88 | ESR1 (0.54) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| SCHEMBL20165124 | 0.88 | ESR1 (0.54) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL29756830 | 0.88 | ESR1 (0.60) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL29756701 | 0.87 | ESR1 (0.53) | ESR1AGTR2ESR2CHRM2CHRM3 | |
| SCHEMBL20165047 | 0.84 | ESR1 (0.49) | ESR1AGTR2ESR2 | |
| SCHEMBL20165045 | 0.84 | ESR1 (0.49) | ESR1AGTR2ESR2 |
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-109963848-B | Substituted N- (3-fluoropropyl) -pyrrolidine compounds, preparation thereof and therapeutic use thereof | 赛诺菲 | 2022-07-05 | — | — | CN | disclosed |