Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | PDE8B | O95263 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OGFRL1 | Q5TC84 | 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 | |
|---|---|---|---|---|
| SCHEMBL5475019 | 0.89 | ATM (0.37) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5483612 | 0.89 | ATM (0.39) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5479174 | 0.88 | ATM (0.39) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5479364 | 0.80 | CHEK2 (0.39) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5484745 | 0.80 | ATM (0.39) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5475212 | 0.78 | ATM (0.37) | CHEK2ATMPDE8BALOX5APFEN1 | |
| SCHEMBL5479053 | 0.77 | ALDH1A1 (0.37) | CHEK2IRAK4GRM5PRMT5PDE7B | |
| SCHEMBL5483406 | 0.77 | ALOX5AP (0.39) | CHEK2ATMALOX5APFEN1IRAK4 | |
| SCHEMBL5476115 | 0.77 | F2 (0.36) | IRAK4SYKALDH1A1OPRM1OPRD1 | |
| SCHEMBL5475153 | 0.76 | F2 (0.36) | IRAK4GRM5ALDH1A1OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005040137-A1 | AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2005-05-06 | — | — | WO | disclosed |