Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18448560 | 0.77 | TDO2 (0.44) | TDO2CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL4367442 | 0.77 | TDO2 (0.44) | TDO2CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL25428487 | 0.74 | TDO2 (0.42) | TDO2CYP11B2MMP3SLC22A12EGLN2 | |
| SCHEMBL31051290 | 0.74 | PDE3B (0.41) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL22270629 | 0.73 | APP (0.47) | TDO2CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL8893483 | 0.73 | ALOX15 (0.41) | TDO2CDK5CDK5R1SLC22A12NOTUM | |
| SCHEMBL25779260 | 0.72 | SLC22A12 (0.49) | TDO2CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL31337414 | 0.71 | AR (0.49) | SLC22A12NSD2 | |
| SCHEMBL18449675 | 0.70 | MAPT (0.52) | TDO2CYP19A1 | |
| SCHEMBL4152103 | 0.70 | CYP2A6 (0.51) | TDO2CYP11B2SLC22A12EGLN2TRPV1 |
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-2009058076-A1 | 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | WO | disclosed |