Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5446634 | 0.98 | ALDH1A1 (0.44) | ALDH1A1F2MMP1MMP2MMP3 | |
| SCHEMBL14656015 | 0.95 | ALDH1A1 (0.39) | ALDH1A1F2ATMKMT2APARP1 | |
| SCHEMBL5971035 | 0.79 | KDM4E (0.47) | ALDH1A1MMP1MMP3SMN1; SMN2KDM4E | |
| SCHEMBL17672298 | 0.76 | ALDH1A1 (0.43) | ALDH1A1F2HPGDSMN1; SMN2KMT2A | |
| Acrylamide SCHEMBL10658901 | 0.75 | ALDH1A1 (0.48) | ALDH1A1F2MMP1MMP2MMP3 | |
| SCHEMBL22622465 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2KMT2A | |
| SCHEMBL19502758 | 0.72 | L3MBTL3 (0.49) | ALDH1A1PARP1 | |
| SCHEMBL14655947 | 0.72 | KCNH2 (0.34) | ALDH1A1KDM4E | |
| SCHEMBL1832187 | 0.70 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2KMT2A | |
| SCHEMBL1706484 | 0.70 | — | — |
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 4 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 |
| EP-2550273-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | disclosed |