Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22397646 | 0.83 | ROCK1 (0.47) | ROCK1CYP17A1IDO1 | |
| SCHEMBL23494403 | 0.80 | GPR6 (0.36) | ROCK1CYP17A1IDO1 | |
| SCHEMBL22397733 | 0.78 | IDO1 (0.42) | ROCK1CYP17A1IDO1 | |
| SCHEMBL22397637 | 0.68 | ROCK1 (0.47) | ROCK1HCRTR1HCRTR2MAPK8MAPK9 | |
| SCHEMBL20071990 | 0.67 | ROCK1 (0.42) | ROCK1HCRTR1HCRTR2CYP17A1IDO1 | |
| SCHEMBL20062940 | 0.66 | HCRTR1 (0.40) | ROCK1HCRTR1HCRTR2CYP17A1GRM4 | |
| SCHEMBL12813103 | 0.62 | ROCK1 (1.00) | ROCK1SMN1; SMN2 | |
| SCHEMBL31492926 | 0.62 | ROCK1 (0.49) | ROCK1CYP17A1IDO1PTPN11 | |
| SCHEMBL20063949 | 0.61 | HRH4 (0.59) | HCRTR1HCRTR2MAP4K4 | |
| SCHEMBL15831246 | 0.60 | ROCK1 (1.00) | ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3703692-A1 | NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2020-09-09 | — | — | EP | disclosed |