Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | LITAF | Q99732 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 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 | |
|---|---|---|---|---|
| SCHEMBL9953348 | 0.91 | HTR6 (0.47) | HTR6BCHECYP3A4OPRM1OPRD1 | |
| SCHEMBL9953113 | 0.90 | HTR6 (0.46) | HTR6BCHECYP3A4OPRM1OPRD1 | |
| SCHEMBL9953229 | 0.89 | HTR6 (0.45) | HTR6BCHECYP3A4OPRM1OPRD1 | |
| SCHEMBL9953871 | 0.89 | HTR6 (0.47) | HTR6BCHECYP3A4OPRM1OPRD1 | |
| SCHEMBL2276483 | 0.88 | HTR6 (0.48) | HTR6BCHECYP3A4GPR119TGFBR1 | |
| SCHEMBL9952710 | 0.88 | HTR6 (0.49) | HTR6BCHECYP3A4GPR119TNF | |
| SCHEMBL2274395 | 0.87 | HTR6 (0.49) | HTR6BCHECYP3A4GPR119TNF | |
| SCHEMBL2226749 | 0.87 | HTR6 (0.47) | HTR6BCHECYP3A4GPR119TGFBR1 | |
| SCHEMBL9952514 | 0.86 | HTR6 (0.46) | HTR6BCHEOPRM1OPRD1OGFRL1 | |
| SCHEMBL2276584 | 0.86 | HTR6 (0.47) | HTR6BCHECYP3A4GPR119TGFBR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085176-A1 | TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-28 | — | — | WO | disclosed |