Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13460572 | 0.81 | NPSR1 (0.43) | SMN1; SMN2MEN1KMT2ACHRM3HIF1A | |
| SCHEMBL13460530 | 0.81 | CYP2C19 (0.39) | CYP2C9CYP2C19CYP1A2SMN1; SMN2KMT2A | |
| SCHEMBL17927203 | 0.81 | CYP2C19 (0.39) | CYP2C9CYP2C19CYP1A2SMN1; SMN2KMT2A | |
| SCHEMBL28173175 | 0.77 | CYP2C19 (0.37) | CYP2C9CYP2C19CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL14535489 | 0.77 | NPSR1 (0.38) | CYP2C9CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL13879187 | 0.76 | TSHR (0.39) | NPSR1 | |
| SCHEMBL15786468 | 0.76 | TAAR1 (0.47) | CYP2C19SMN1; SMN2KMT2ACYP3A4HIF1A | |
| SCHEMBL13460547 | 0.76 | KIF11 (0.39) | SMN1; SMN2MEN1KMT2ACHRM5CYP3A4 | |
| SCHEMBL28310918 | 0.75 | CYP2C19 (0.38) | CYP2C9CYP2C19CYP1A2SMN1; SMN2CYP2D6 | |
| SCHEMBL17652992 | 0.74 | NPSR1 (0.31) | 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 |
|---|---|---|---|---|---|---|---|
| CN-107082749-B | A kind of preparation method of β-nitrine alcohol compound | 浙江大学 | 2019-08-30 | — | — | CN | disclosed |