Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 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 SCHEMBL9595924 | 0.93 | CHRM2 (0.39) | CHRM2CHRM3SLC6A2SLC6A3BACE1 | |
| Trifluoroacetic Acid SCHEMBL9054206 | 0.79 | KDM4E (0.36) | CHRM3 | |
| SCHEMBL15490445 | 0.74 | GRIN1 (0.40) | CHRM2CHRM3SLC6A2SLC6A3BACE1 | |
| SCHEMBL6412321 | 0.74 | CHRM3 (0.46) | CHRM2CHRM3SLC6A2SLC6A3BACE1 | |
| SCHEMBL14534899 | 0.72 | CHRM2 (0.42) | CHRM2CHRM3SLC6A2SLC6A3GRIN1 | |
| SCHEMBL27390238 | 0.72 | BCHE (0.38) | MAPK1 | |
| SCHEMBL14592069 | 0.72 | SLC6A2 (0.47) | CHRM2CHRM3SLC6A2SLC6A3GRIN1 | |
| SCHEMBL7267129 | 0.71 | OGA (0.38) | MAPK1 | |
| SCHEMBL7267134 | 0.71 | OGA (0.38) | MAPK1 | |
| SCHEMBL1162982 | 0.71 | MAOA (0.45) | CHRM2CHRM3OPRK1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0696277-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO. INC. (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994022480-A1 | HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-10-13 | — | — | WO | disclosed |