Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL6814839 | 0.96 | CRHR1 (0.39) | ENPP1HSP90AA1HSP90AB1CRHR1JAK2 | |
| SCHEMBL6818769 | 0.84 | FFAR4 (0.35) | CRHR1JAK2JAK1SCN9ACCNT1 | |
| SCHEMBL6813739 | 0.82 | DYRK1A (0.38) | ENPP1CRHR1JAK2JAK1DYRK1A | |
| SCHEMBL6818015 | 0.80 | ACP1 (0.36) | HSP90AA1HSP90AB1CRHR1CHRNB2CHRNB4 | |
| SCHEMBL6082842 | 0.79 | IDH2 (0.39) | HSP90AA1HSP90AB1CRHR1CHRNB2CHRNB4 | |
| SCHEMBL6082839 | 0.79 | IDH2 (0.39) | HSP90AA1HSP90AB1CRHR1CHRNB2CHRNB4 | |
| SCHEMBL6082635 | 0.76 | IDH2 (0.42) | HSP90AA1HSP90AB1CRHR1DYRK1ACDC7 | |
| SCHEMBL6082630 | 0.76 | IDH2 (0.42) | HSP90AA1HSP90AB1CRHR1DYRK1ACDC7 | |
| SCHEMBL6817533 | 0.76 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1CRHR1CHRNB2CHRNB4 | |
| SCHEMBL6082251 | 0.73 | CRHR1 (0.49) | HSP90AA1HSP90AB1CRHR1KCNH2 |
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-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |