Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 6/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL28757049 | 0.78 | TSHR (0.77) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL20981569 | 0.78 | TSHR (0.94) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Alcohol SCHEMBL8767673 | 0.76 | TSHR (0.74) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Ethane SCHEMBL28306955 | 0.75 | TSHR (0.90) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL21026 | 0.75 | — | — | |
| SCHEMBL28467238 | 0.75 | TSHR (1.00) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL987488 | 0.75 | — | — | |
| SCHEMBL1943997 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL8766879 | 0.73 | TSHR (0.85) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Ethoxycarbonyl Group SCHEMBL28886130 | 0.73 | TSHR (0.57) | TSHRCHRM2CHRM3CHRM4CHRM1 |
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-110862398-B | Urea substituted aromatic ring-linked dioxane quinazoline or quinoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-110862398-A | Urea substituted aromatic ring-linked dioxane quinazoline or quinoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-03-06 | — | — | CN | disclosed |