Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL28844433 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL29489966 | 0.79 | ATM (0.43) | CYP2D6CYP2C9MAPK1CYP2C19CHRNA7 | |
| SCHEMBL20680930 | 0.78 | CHRNB2 (0.67) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1117990 | 0.78 | CHRNB2 (0.67) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28849366 | 0.77 | TRPV1 (0.45) | — | |
| SCHEMBL16881226 | 0.76 | CYP2C9 (0.41) | CYP2D6CYP2C9MAPK1CYP2C19OPRM1 | |
| SCHEMBL3572634 | 0.76 | DRD2 (0.41) | CYP2D6CYP2C9MAPK1CYP2C19CHRNA7 | |
| SCHEMBL2047049 | 0.75 | HTR1A (0.49) | CYP2D6MAPK1CYP2C19OPRM1OPRK1 | |
| SCHEMBL1423483 | 0.74 | RIPK1 (0.50) | CYP2D6CYP2C9MAPK1CYP2C19ACHE | |
| SCHEMBL29515757 | 0.74 | RIPK1 (0.50) | CYP2D6CYP2C9MAPK1CYP2C19ACHE |
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-106661034-A | Pyrrolopyrimidines as TLR7 agonists | 正大天晴药业集团股份有限公司 | 2017-05-10 | — | — | CN | disclosed |