Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | USP1 | O94782 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PER2 | O15055 | 1/20 | 0.31 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.31 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4489281 | 0.91 | KCNH2 (0.34) | KCNH2CYP2C8CYP2C9SMN1; SMN2USP1 | |
| SCHEMBL3986451 | 0.91 | JAK2 (0.36) | ALDH1A1SMN1; SMN2ADORA3KDM5BMAT2A | |
| SCHEMBL4745295 | 0.84 | KDM4E (0.32) | ADORA3 | |
| SCHEMBL4481630 | 0.83 | ACLY (0.31) | ALDH1A1 | |
| SCHEMBL4492304 | 0.83 | ACLY (0.31) | ALDH1A1 | |
| SCHEMBL3986727 | 0.83 | USP1 (0.38) | KCNH2CYP2C8CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL3993899 | 0.82 | TP53 (0.33) | SMN1; SMN2ADORA3MEN1KMT2AMAPT | |
| SCHEMBL4485590 | 0.82 | TP53 (0.33) | SMN1; SMN2ADORA3MEN1KMT2AMAPT | |
| SCHEMBL3992902 | 0.82 | KCNH2 (0.31) | KCNH2CYP2C8CYP2C9SMN1; SMN2MAT2A | |
| SCHEMBL4501834 | 0.79 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KDM5BMEN1KMT2A |
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-2008107398-A2 | PYRAZINE COMPOUNDS | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |