Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5703358 | 0.90 | ADORA2A (0.37) | ADORA2ACYP1A2CYP2C19 | |
| SCHEMBL5703309 | 0.81 | ADORA2A (0.37) | ADORA2AKDM4ECYP1A2CYP2C19GAA | |
| SCHEMBL5703338 | 0.81 | PTGS1 (0.32) | SMPD3KDM4EXDHALDH1A1GAA | |
| SCHEMBL5703348 | 0.79 | KDM5B (0.38) | — | |
| SCHEMBL5703301 | 0.78 | DGAT1 (0.34) | ADORA2AKDM4ECYP1A2GAAHPGD | |
| SCHEMBL5703412 | 0.78 | IKBKB (0.35) | ADORA2AKDM4ELMNA | |
| SCHEMBL3866288 | 0.77 | PLAU (0.59) | PLAUADORA2APIN1KDM4ELMNA | |
| SCHEMBL5703288 | 0.74 | DGAT1 (0.33) | PLAUKMT2A | |
| SCHEMBL4583299 | 0.74 | ATR (0.47) | PLAUADORA2AKDM4ELMNAXDH | |
| SCHEMBL5235612 | 0.74 | HPGD (0.41) | PLAUADORA2AKDM4ELMNACYP2C19 |
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 |