Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10684133 | 1.00 | TSHR (0.54) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL6482473 | 0.97 | TSHR (0.56) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL1120426 | 0.97 | TSHR (0.56) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL6135142 | 0.97 | TSHR (0.56) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL12841102 | 0.91 | TSHR (0.50) | TSHRCHRM2ALDH1A1LMNAALOX12 | |
| SCHEMBL10688802 | 0.86 | TSHR (0.42) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL10688813 | 0.86 | TSHR (0.42) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL10689902 | 0.86 | CHRM2 (0.42) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL13839948 | 0.85 | TSHR (0.45) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL46155 | 0.84 | TSHR (0.72) | 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 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 |