Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.31 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 2/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14737300 | 0.87 | LMNA (0.38) | ALDH1A1ALOX15KMT2ASIRT2 | |
| SCHEMBL14737474 | 0.85 | LMNA (0.38) | ATR | |
| SCHEMBL14744268 | 0.82 | ATR (0.32) | ATRMAPK8SIRT2 | |
| SCHEMBL14737582 | 0.81 | TTK (0.33) | ATRSIRT2 | |
| SCHEMBL16176675 | 0.80 | MAPK1 (0.35) | — | |
| SCHEMBL14331979 | 0.80 | ADORA1 (0.34) | ATRALDH1A1 | |
| SCHEMBL14751438 | 0.78 | EGLN1 (0.33) | — | |
| SCHEMBL14331938 | 0.78 | ADORA3 (0.33) | ALDH1A1KMT2A | |
| SCHEMBL14737274 | 0.76 | ADORA3 (0.31) | SIRT2 | |
| SCHEMBL14331972 | 0.76 | ALDH1A1 (0.35) | ATRALDH1A1KMT2ATP53 |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |