Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL5128402 | 0.88 | SIGMAR1 (0.47) | SIGMAR1KCNH2ADRB2ADORA3CHRM1 | |
| SCHEMBL1031941 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2GAAMAPT | |
| SCHEMBL28265916 | 0.79 | SIGMAR1 (0.50) | SIGMAR1 | |
| SCHEMBL357594 | 0.78 | SIGMAR1 (0.65) | SIGMAR1GAAMAPTKCNH2MPO | |
| SCHEMBL241799 | 0.77 | — | — | |
| SCHEMBL28291658 | 0.77 | SIGMAR1 (0.41) | SIGMAR1SMN1; SMN2GAAMAPT | |
| SCHEMBL29017807 | 0.77 | CA2 (0.60) | SIGMAR1ADRB2SLC6A2OPRK1 | |
| Hydrochloric Acid SCHEMBL6895167 | 0.77 | SIGMAR1 (0.63) | SIGMAR1SMN1; SMN2GAAMAPTKCNH2 | |
| SCHEMBL25381851 | 0.76 | SIGMAR1 (0.47) | SIGMAR1SMN1; SMN2MAPT | |
| SCHEMBL5133058 | 0.76 | KCNH2 (0.42) | SIGMAR1SMN1; SMN2MAPTKCNH2ADRB2 |
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-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |