Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL25910282 | 0.85 | TLR7 (0.34) | KCNH2HRH3ADORA2AADORA1PDE10A | |
| SCHEMBL25911492 | 0.83 | TLR7 (0.34) | KCNH2HRH3ADORA2AADORA1PDE10A | |
| SCHEMBL25910174 | 0.81 | ADORA2A (0.44) | ADORA2AADORA1 | |
| SCHEMBL25911473 | 0.80 | CSF1R (0.48) | — | |
| SCHEMBL25909902 | 0.80 | CSF1R (0.48) | — | |
| SCHEMBL25913125 | 0.79 | KCNH2 (0.41) | KCNH2HRH3CRHR1MCHR1 | |
| SCHEMBL25912717 | 0.79 | P2RX3 (0.36) | HRH3ADORA2AADORA1MCHR1 | |
| SCHEMBL25911244 | 0.74 | ADRA1A (0.42) | ADORA2AADORA1PDE10AADRA1ACRHR1 | |
| SCHEMBL25911242 | 0.74 | ADRA1A (0.42) | ADORA2AADORA1PDE10AADRA1ACRHR1 | |
| SCHEMBL25913396 | 0.72 | ESR2 (0.46) | KCNH2HRH3 |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |