Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 11/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 11/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 11/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 11/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CD63 | P08962 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27883238 | 0.82 | NOS3 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4NOS3 | |
| SCHEMBL27866883 | 0.82 | CHRNB4 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4NOS3 | |
| SCHEMBL2711961 | 0.76 | NOS3 (0.49) | CHRNB2CHRNA4NOS3NOS1CD63 | |
| SCHEMBL27662677 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL28076420 | 0.75 | PIK3CA (0.40) | CHRNB2CHRNA4NOS3 | |
| Hydrochloric Acid SCHEMBL2195037 | 0.74 | NOS3 (0.48) | CHRNB2CHRNA4NOS3NOS1CD63 | |
| SCHEMBL27910746 | 0.73 | CHRNB2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4NOS3 | |
| SCHEMBL24533959 | 0.72 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL17796709 | 0.71 | CCR6 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL23707244 | 0.71 | CCR6 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658646-A | Aminoheteroaryl benzamides as kinase inhibitors | 诺华股份有限公司 | 2016-06-08 | — | — | CN | disclosed |