Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6413874 | 0.94 | CHRM3 (0.37) | KCNH2CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL12416099 | 0.88 | HRH3 (0.37) | KCNH2CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL6412321 | 0.86 | CHRM3 (0.46) | KCNH2CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL14534904 | 0.86 | PPARG (0.41) | KCNH2CHRM3CHRM2CHRM4CHRM5 | |
| Trifluoroacetic Acid SCHEMBL6414286 | 0.81 | CHRM3 (0.42) | KCNH2CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL10025296 | 0.79 | CYP1A2 (0.37) | KCNH2PPARGPPARA | |
| SCHEMBL8278753 | 0.75 | HRH3 (0.40) | PPARGPPARAL3MBTL1 | |
| SCHEMBL14592054 | 0.75 | PPARG (0.40) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Trifluoroacetic Acid SCHEMBL6418154 | 0.75 | KDM4E (0.42) | CHRM3L3MBTL1 | |
| SCHEMBL13017370 | 0.75 | CHRM2 (0.42) | KCNH2CHRM3CHRM2OPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994026717-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-11-24 | — | — | WO | disclosed |
| WO-1994022480-A1 | HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-10-13 | — | — | WO | disclosed |