Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5966926 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL24323779 | 0.98 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15941517 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL14396537 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5436113 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6165804 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3628073 | 0.82 | DPP4 (0.60) | CYP3A4CYP2C19DPP4DPP8DPP9 | |
| SCHEMBL5966905 | 0.82 | DPP4 (0.60) | CYP3A4CYP2C19DPP4DPP8DPP9 | |
| SCHEMBL27507785 | 0.82 | DPP4 (0.60) | CYP3A4CYP2C19DPP4DPP8DPP9 | |
| Hydrochloric Acid SCHEMBL318913 | 0.82 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518945-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-08-27 | — | — | US | claimed |
| EP-2550273-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | claimed |
| US-8518945-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-08-27 | — | — | US | disclosed |