Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29466815 | 0.81 | NISCH (0.58) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL4775732 | 0.81 | NISCH (0.58) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL7847296 | 0.79 | NISCH (0.40) | NISCHMTORADKCSNK1A1TYRO3 | |
| SCHEMBL15152912 | 0.79 | NISCH (0.46) | NISCHMTORADKBRD4 | |
| SCHEMBL8536858 | 0.79 | ESR2 (0.46) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL5914842 | 0.79 | ADRA2A (0.49) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL15651168 | 0.79 | NISCH (0.46) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL8542548 | 0.76 | ADRA2A (0.57) | NISCHALDH1A1SMOSMPD3KDM4E | |
| SCHEMBL674011 | 0.76 | NISCH (0.53) | NISCHMTORADKBRD4CSNK1A1 | |
| SCHEMBL28135512 | 0.75 | NISCH (0.42) | NISCHMTORADKBRD4CSNK1A1 |
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-2550273-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011117145-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-09-29 | — | — | WO | disclosed |