Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | CTSA | P10619 | 4/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5703327 | 0.93 | SLC9A1 (0.35) | LDHAKMOMAPK14KCNH2CYP1A2 | |
| SCHEMBL5703358 | 0.88 | ADORA2A (0.37) | KCNH2CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL5703212 | 0.84 | DHODH (0.36) | KCNH2DHODHCTSA | |
| SCHEMBL5703293 | 0.83 | PLAU (0.40) | CYP1A2 | |
| SCHEMBL5703348 | 0.80 | KDM5B (0.38) | PDE7AKCNH2 | |
| SCHEMBL4585969 | 0.76 | ADORA2A (0.51) | LDHAMAPK14KCNH2 | |
| SCHEMBL5703412 | 0.70 | IKBKB (0.35) | DHODH | |
| SCHEMBL4585041 | 0.67 | ADORA2A (0.51) | DHODH | |
| SCHEMBL4584946 | 0.67 | ADORA2A (0.51) | MAPK14KCNH2 | |
| SCHEMBL5703338 | 0.65 | PTGS1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678160-A1 | PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | Astellas Pharma Inc. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040151-A1 | PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | ASTELLAS PHARMA INC. (JP) | 2005-05-06 | — | — | WO | disclosed |