Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 8/20 | 0.53 |
| ▸ | JAK1 | P23458 | 8/20 | 0.53 |
| ▸ | HTR6 | P50406 | 10/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2276970 | 0.90 | JAK1 (0.50) | JAK2JAK1HTR6AURKAPRKCA | |
| SCHEMBL2276752 | 0.89 | JAK2 (0.55) | JAK2JAK1HTR6DRD2AURKA | |
| SCHEMBL2276750 | 0.89 | JAK2 (0.55) | JAK2JAK1HTR6DRD2AURKA | |
| SCHEMBL2273730 | 0.89 | JAK1 (0.41) | JAK2JAK1HTR6AURKAPRKCA | |
| SCHEMBL2277347 | 0.89 | JAK1 (0.53) | JAK2JAK1HTR6AURKAPRKCA | |
| SCHEMBL2227224 | 0.89 | JAK1 (0.43) | JAK2JAK1HTR6AURKAPRKCA | |
| SCHEMBL2225763 | 0.88 | HTR6 (0.43) | JAK2JAK1HTR6DRD3DRD2 | |
| SCHEMBL9953813 | 0.87 | HTR6 (0.40) | JAK2JAK1HTR6DRD3DRD2 | |
| SCHEMBL2365115 | 0.87 | HTT (0.41) | JAK2JAK1HTR6AURKAPRKCA | |
| SCHEMBL2280657 | 0.87 | JAK2 (0.48) | JAK2JAK1HTR6AURKAPRKCA |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |