Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 6/20 | 0.39 |
| ▸ | JAK3 | P52333 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.36 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | TYK2 | P29597 | 3/20 | 0.35 |
| ▸ | PDE9A | O76083 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL626803 | 0.82 | PARP1 (0.40) | PARP1PARP2JAK1JAK3RIPK2 | |
| SCHEMBL19193717 | 0.72 | PARP1 (0.39) | PARP1PARP2JAK1JAK3JAK2 | |
| SCHEMBL16900171 | 0.70 | MAPK8 (0.46) | PARP1PARP2JAK1JAK3JAK2 | |
| SCHEMBL17604090 | 0.69 | RIPK2 (0.46) | JAK1JAK3GAARIPK2JAK2 | |
| SCHEMBL22042843 | 0.68 | LMNA (0.52) | — | |
| SCHEMBL27715488 | 0.68 | RIPK2 (0.70) | GAARIPK2BCAT2 | |
| SCHEMBL1164192 | 0.67 | RIPK2 (0.44) | PARP1JAK1JAK3PIK3CDRIPK2 | |
| SCHEMBL1717428 | 0.67 | RIPK2 (0.44) | PARP1JAK1JAK3GAARIPK2 | |
| SCHEMBL6346129 | 0.66 | RIPK2 (0.41) | JAK1JAK3GAARIPK2JAK2 | |
| SCHEMBL30526942 | 0.66 | PARP1 (0.46) | PARP1PARP2BCAT2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105541849-B | The ketone derivatives of the dihydro-pyrazolo of 6 cycloalkyl 1,5 [3,4 d] pyrimidine 4 and its purposes as PDE9A inhibitor | 勃林格殷格翰国际有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-105541849-A | 6-cycloalkyl-1, 5-dihydro-pyrazolo [3, 4-d] pyrimidin-4-one derivatives and their use as PDE9A inhibitors | BOEHRINGER INGELHEIM INT | 2016-05-04 | — | — | CN | disclosed |
| CN-103052639-B | 6-cycloalkyl-1, 5-dihydro-pyrazolo [3,4-d ] pyrimidin-4-one derivatives and their use as PDE9A inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-17 | — | — | CN | disclosed |