Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL660572 | 0.83 | PARP1 (0.39) | F2RKCNH2CXCR4PARP1HRH4 | |
| SCHEMBL249047 | 0.81 | CCR1 (0.40) | F2RKCNH2CXCR4PARP1CHRNB2 | |
| SCHEMBL9069711 | 0.81 | CHRNB2 (0.37) | F2RKCNH2CXCR4PARP1HRH4 | |
| SCHEMBL45869 | 0.78 | KCNH2 (0.52) | KCNH2CXCR4PARP1HRH4GRIN2D | |
| SCHEMBL9000689 | 0.78 | ALDH1A1 (0.38) | F2RKCNH2CXCR4PARP1NPSR1 | |
| SCHEMBL26140256 | 0.76 | KDM4E (0.45) | F2RPARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL25610250 | 0.76 | HRH4 (0.32) | F2RKCNH2CXCR4PARP1HRH4 | |
| SCHEMBL11564452 | 0.76 | KCNH2 (0.50) | KCNH2CXCR4PARP1HRH4CHRNB2 | |
| SCHEMBL833610 | 0.76 | ALDH1A1 (0.52) | NPSR1 | |
| SCHEMBL20314432 | 0.75 | GRM4 (0.61) | NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6437118-B1 | REACTING 4-AMINO-1H-PYRMIDIN-2-ONE WITH VINYL BORANE IN PRESENCE OF PALLADIUM COMPLEX AND BASE | HOFFMANN-LA ROCHE INC. | 2002-08-20 | — | — | US | disclosed |