Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL627741 | 0.83 | SIRT3 (0.55) | SIRT3TDP1MAPK14RIPK2RAB9A | |
| SCHEMBL27715488 | 0.77 | RIPK2 (0.70) | MAPK14RIPK2RAB9ASMN1; SMN2LMNA | |
| SCHEMBL1457388 | 0.73 | SIRT3 (0.41) | SIRT3TDP1MAPK14RIPK2LCK | |
| SCHEMBL971001 | 0.72 | MAPK14 (0.72) | MAPK14RIPK2BTKRAB9ASMN1; SMN2 | |
| SCHEMBL30147284 | 0.72 | SIRT3 (0.50) | SIRT3TDP1SMN1; SMN2KDM4E | |
| SCHEMBL27717978 | 0.71 | SLC6A9 (0.42) | MAPK14RIPK2RAB9ASMN1; SMN2LMNA | |
| SCHEMBL27821329 | 0.69 | SIRT3 (0.57) | SIRT3TDP1LCKBTKMKNK1 | |
| SCHEMBL6825048 | 0.69 | SIRT3 (0.67) | SIRT3TDP1LCKBTKRAB9A | |
| SCHEMBL31554579 | 0.69 | SIRT3 (0.53) | SIRT3TDP1RIPK2LCKBTK | |
| SCHEMBL839086 | 0.66 | KMT2A (0.51) | MAPK14CYP1A2KDM4EHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103052639-A | 6-cycloalkyl-1, 5-dihydro-pyrazolo [3,4-d ] pyrimidin-4-one derivatives and their use as PDE9A inhibitors | BOEHRINGER INGELHEIM INT | 2013-04-17 | — | — | CN | disclosed |