Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL21093913 | 0.91 | CHRNB2 (0.37) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL21050385 | 0.90 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL21050383 | 0.90 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL21050384 | 0.90 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL23504818 | 0.75 | CHRNA3 (0.36) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL16685011 | 0.73 | HRH3 (0.44) | — | |
| SCHEMBL23497916 | 0.72 | PBK (0.45) | — | |
| Hydrochloric Acid SCHEMBL16684779 | 0.71 | HRH3 (0.42) | — | |
| SCHEMBL20159697 | 0.71 | APP (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3PSEN1 | |
| SCHEMBL20159656 | 0.71 | CHRNA3 (0.39) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 |
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-2018011164-A1 | FUSED PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |