Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690318 | 1.00 | TSHR (0.48) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL1582359 | 0.98 | TSHR (0.50) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL1582360 | 0.98 | TSHR (0.50) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10689902 | 0.92 | CHRM2 (0.42) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10687841 | 0.91 | CHRM2 (0.41) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10690981 | 0.89 | CHRM2 (0.50) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10690458 | 0.88 | CHRM2 (0.40) | TSHRCHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10685844 | 0.88 | THRA (0.43) | TSHRCHRM2CHRM3CHRM5TP53 | |
| SCHEMBL10687161 | 0.86 | THRA (0.49) | CHRM2CHRM3CHRM5CHRM1TP53 | |
| SCHEMBL10689165 | 0.86 | CHRM2 (0.48) | TSHRCHRM2CHRM3CHRM5CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |