Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2622266 | 1.00 | CHRM2 (0.54) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| SCHEMBL823084 | 1.00 | CHRM2 (0.54) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| SCHEMBL15401071 | 1.00 | CHRM2 (0.54) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| SCHEMBL17381488 | 0.97 | — | — | |
| SCHEMBL1558122 | 0.97 | — | — | |
| SCHEMBL12766740 | 0.97 | — | — | |
| Water SCHEMBL25425578 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL20875601 | 0.93 | CHRM2 (0.52) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| Acetic Acid SCHEMBL29088223 | 0.85 | CHRM2 (0.46) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| Oxirane SCHEMBL2543131 | 0.84 | — | — |
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-20160282371-A1 | Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits | QUANTALYTICAL LABS INC. (US) | 2016-09-29 | — | — | US | disclosed |