Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22785961 | 1.00 | TSHR (0.47) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL21275983 | 0.82 | DGAT1 (0.45) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL13851025 | 0.82 | DGAT1 (0.45) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL23408564 | 0.82 | DGAT1 (0.45) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL1245327 | 0.78 | DGAT1 (0.47) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL22785822 | 0.77 | TSHR (0.42) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL24014985 | 0.77 | TSHR (0.42) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL14198663 | 0.71 | TSHR (0.36) | TSHRMAOBKDM4EADORA3AR | |
| Ethane SCHEMBL28306955 | 0.66 | TSHR (0.90) | TSHRCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL26189684 | 0.66 | TSHR (0.37) | TSHRMAOBKDM4EADORA3AR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3906969-A1 | ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF | East China University of Science and Technology (CN) | 2021-11-10 | — | — | EP | disclosed |