Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398640 | 0.83 | MAPK1 (0.32) | CYP2D6SYKMAPK1 | |
| SCHEMBL3399031 | 0.78 | ALOX5AP (0.36) | NPC1CYP2D6SYKMAPK1ATR | |
| SCHEMBL3397744 | 0.78 | NPC1 (0.41) | NPC1RAB9ACYP2D6SYKMAPK1 | |
| SCHEMBL3398248 | 0.77 | MAPK1 (0.40) | NPC1RAB9ACYP2D6SYKMAPK1 | |
| SCHEMBL3398594 | 0.77 | MAPK1 (0.38) | ALDH1A1HPGDCYP2D6SYKMAPK1 | |
| SCHEMBL3396888 | 0.76 | MAPK1 (0.37) | CYP2D6SYKMAPK1ATR | |
| SCHEMBL3397717 | 0.75 | MAPK1 (0.41) | MAPK1CDK8 | |
| SCHEMBL3396108 | 0.75 | — | — | |
| SCHEMBL3395483 | 0.75 | MAPK1 (0.47) | MAPK1 | |
| SCHEMBL2343779 | 0.75 | MAPK1 (0.36) | CYP2D6SYKMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | claimed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |