Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17606744 | 0.81 | OPRM1 (0.43) | BCHECYP2D6TSHRCYP3A4OPRM1 | |
| SCHEMBL1313447 | 0.79 | CYP2D6 (0.50) | CYP2D6TSHRCYP3A4OPRM1SIGMAR1 | |
| SCHEMBL17606206 | 0.75 | CHRM2 (0.51) | CYP2D6TSHRCYP3A4OPRM1SIGMAR1 | |
| SCHEMBL19307244 | 0.74 | OPRM1 (0.47) | BCHECYP2D6OPRM1SIGMAR1CHRM2 | |
| SCHEMBL9718125 | 0.74 | NPFFR1 (0.47) | CYP2D6TSHRCYP3A4CHRM2CHRM3 | |
| SCHEMBL9179598 | 0.74 | OPRL1 (0.51) | CYP2D6TSHRCYP3A4SIGMAR1ALDH1A1 | |
| SCHEMBL2340854 | 0.73 | KDM1A (0.42) | CYP2D6TSHRCYP3A4ALDH1A1 | |
| SCHEMBL17606613 | 0.73 | OPRL1 (0.48) | BCHECYP2D6CYP3A4OPRM1SIGMAR1 | |
| SCHEMBL22962159 | 0.72 | NPFFR1 (0.48) | BCHECYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL9179730 | 0.72 | OPRL1 (0.49) | CYP2D6TSHRCYP3A4SIGMAR1ALDH1A1 |
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-107001318-B | N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system | 克罗诺斯治疗有限公司 | 2020-08-11 | — | — | CN | disclosed |