Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23031978 | 0.80 | CHRNB4 (0.40) | CHRNB4CHRNA3CHRNB2CHRNA4OPRD1 | |
| SCHEMBL24119502 | 0.78 | CHRNB4 (0.39) | CHRNB4CHRNA3CHRNB2CHRNA4OPRD1 | |
| SCHEMBL15500970 | 0.76 | CHRNB4 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4OPRD1 | |
| SCHEMBL21311774 | 0.75 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL680143 | 0.74 | SMN1; SMN2 (0.54) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL15222055 | 0.74 | SMN1; SMN2 (0.54) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL4964598 | 0.73 | CHRNB4 (0.42) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL3524292 | 0.73 | CHRNB4 (0.42) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL3524296 | 0.73 | CHRNB4 (0.42) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL19418197 | 0.73 | SMN1; SMN2 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA4KIF11 |
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-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |