Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 7/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 3/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.35 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14744327 | 0.88 | AURKA (0.35) | AURKAPDPK1AURKB | |
| SCHEMBL14744385 | 0.83 | MAPT (0.33) | MAPK1 | |
| SCHEMBL14738713 | 0.83 | CNR1 (0.41) | PARP1HDAC4HDAC6USP30GABRA5 | |
| SCHEMBL14738711 | 0.83 | CNR1 (0.41) | PARP1HDAC4HDAC6USP30GABRA5 | |
| SCHEMBL1352864 | 0.81 | HDAC4 (0.45) | PARP1HDAC4HDAC6PBKUSP30 | |
| SCHEMBL14743918 | 0.80 | DGAT1 (0.34) | MAPK1 | |
| SCHEMBL14744517 | 0.76 | SYK (0.42) | CYP2C9MAPK1 | |
| SCHEMBL14744289 | 0.75 | DGAT1 (0.33) | — | |
| SCHEMBL14738342 | 0.74 | SYK (0.43) | MAPK1 | |
| SCHEMBL29936497 | 0.74 | PIK3CD (0.40) | PARP1HDAC4HDAC6PBKUSP30 |
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 |