Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL4773015 | 0.94 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4767155 | 0.94 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8928379 | 0.92 | ALDH1A1 (0.43) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Methyl Alcohol SCHEMBL28701156 | 0.90 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL26986006 | 0.86 | — | — | |
| SCHEMBL928477 | 0.86 | — | — | |
| SCHEMBL8071010 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8079198 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Water SCHEMBL5064656 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL15206686 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004615-A2 | QUINAZOLINES FOR PDK1 INHIBITION | Novartis AG (CH) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007117607-A2 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2007-10-18 | — | — | WO | disclosed |
| US-4342681-A | Use of organic silicon compounds in combination with oxetane compounds, dioxanes or tetrahydrofuranes for stabilizing and brightening polycarbonates which are free from phosphites and free from boric acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1982-08-03 | — | — | US | disclosed |
| US-4277566-A | REMOVING HEAVY METALS FROM WASTE WATERS OR RECOVERING THEM FROM SEA WATER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-07-07 | — | — | US | disclosed |
| EP-0019217-A1 | Use of organic silicium compounds in combination with oxetane compounds, dioxanes or tetrahydrofuranes for the stabilisation and brightening of polycarbonates free from phosphites and boric acid esters | BAYER AG (DE) | 1980-11-26 | — | — | EP | disclosed |