Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 9/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 7/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19939755 | 0.87 | TMEM97 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9314380 | 0.76 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6113534 | 0.76 | HTR1A (0.55) | ADRA1AADRA1BHTR1AADRA1D | |
| SCHEMBL6052978 | 0.73 | ADRA1A (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12994156 | 0.72 | ADRA1A (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL15956069 | 0.71 | SIGMAR1 (0.44) | HTR1ATMEM97SIGMAR1 | |
| SCHEMBL747277 | 0.71 | PTGS2 (0.37) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL11483892 | 0.70 | GRM2 (0.39) | — | |
| SCHEMBL5449894 | 0.69 | GAA (0.39) | TMEM97SIGMAR1 | |
| SCHEMBL11275223 | 0.69 | SIGMAR1 (0.39) | HTR1ATMEM97SIGMAR1 |
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-104230709-A | Preparation method of beta-glycol monoacetate | UNIV SHANGHAI | 2014-12-24 | — | — | CN | disclosed |