Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.37 |
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 SCHEMBL6413883 | 0.94 | L3MBTL1 (0.38) | L3MBTL1HRH3KCNH2CTSC | |
| SCHEMBL6412333 | 0.87 | L3MBTL1 (0.47) | L3MBTL1HRH3CTSC | |
| SCHEMBL12571288 | 0.83 | HRH3 (0.43) | L3MBTL1HRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL6419215 | 0.81 | HRH3 (0.43) | L3MBTL1HRH3KCNH2CTSC | |
| SCHEMBL7345824 | 0.81 | GRIK1 (0.47) | HRH3KCNH2 | |
| SCHEMBL3182602 | 0.81 | GRIK1 (0.47) | HRH3KCNH2 | |
| SCHEMBL27813547 | 0.81 | GRIK1 (0.47) | HRH3KCNH2 | |
| SCHEMBL5149942 | 0.79 | HRH3 (0.38) | L3MBTL1HRH3KCNH2 | |
| SCHEMBL6208688 | 0.79 | HRH3 (0.38) | L3MBTL1HRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL6418158 | 0.76 | ALDH1A1 (0.41) | L3MBTL1HRH3CTSC |
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 |