Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.55 |
| ▸ | HRH1 | P35367 | 3/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.48 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18917600 | 0.85 | CHRNA7 (0.48) | CHRM2CHRM4 | |
| Water SCHEMBL21143569 | 0.83 | CHRNA7 (0.47) | CHRM2CHRM4 | |
| SCHEMBL18917604 | 0.81 | LTA4H (0.75) | SIGMAR1HRH1LTA4HHRH3L3MBTL3 | |
| SCHEMBL2383676 | 0.79 | HRH3 (0.50) | SIGMAR1HRH1HRH3CHRM2CHRM4 | |
| Bromide SCHEMBL9671965 | 0.76 | CHRNB2 (0.47) | HRH1CHRM2CHRM4 | |
| SCHEMBL14501468 | 0.76 | HRH1 (0.86) | SIGMAR1HRH1LTA4HHRH3L3MBTL3 | |
| SCHEMBL16295001 | 0.76 | HRH3 (0.58) | SIGMAR1HRH1HRH3 | |
| SCHEMBL7997735 | 0.76 | SIGMAR1 (0.65) | SIGMAR1HRH1LTA4HHRH3L3MBTL3 | |
| SCHEMBL11955057 | 0.76 | SIGMAR1 (0.65) | SIGMAR1HRH1LTA4HHRH3L3MBTL3 | |
| SCHEMBL9935176 | 0.76 | KDM4E (0.54) | L3MBTL1CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017095705-A1 | EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2017-06-08 | — | — | WO | disclosed |