Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4296257 | 0.81 | OPRM1 (0.44) | PARP1SLC6A3SLC6A4SLC6A2OPRM1 | |
| SCHEMBL4296231 | 0.80 | SLC6A3 (0.43) | PARP1SLC6A3SLC6A4SLC6A2HSD11B1 | |
| SCHEMBL29082026 | 0.76 | GRIN1 (0.47) | SLC6A3SLC6A4SLC6A2HSD11B1OPRM1 | |
| Ammonia Solution, Strong SCHEMBL29082373 | 0.74 | GRIN1 (0.46) | SLC6A3SLC6A4SLC6A2HSD11B1OPRM1 | |
| SCHEMBL32681154 | 0.73 | CHRNB1 (0.35) | PARP1 | |
| SCHEMBL15008442 | 0.70 | MAPK14 (0.44) | PARP1HSD11B1 | |
| SCHEMBL15008443 | 0.70 | MAPK14 (0.44) | PARP1HSD11B1 | |
| SCHEMBL6926354 | 0.69 | OPRM1 (0.51) | SLC6A3SLC6A4OPRM1KMT2ADRD2 | |
| SCHEMBL18731070 | 0.69 | CHRM2 (0.39) | — | |
| SCHEMBL253862 | 0.69 | CHRM2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602776-A | Heteroaryl compound and application thereof as IRAK inhibitor | 默克专利有限公司 | 2018-09-28 | — | — | CN | disclosed |