Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB1 | P20618 | 3/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19819796 | 1.00 | PSMB1 (0.45) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL9917381 | 0.83 | PSMB1 (0.47) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL1698707 | 0.83 | PSMB1 (0.47) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL22416342 | 0.81 | SLC6A3 (0.43) | CYP3A4CYP1A2CYP2D6TSHRSLC6A2 | |
| SCHEMBL8068190 | 0.80 | PSMB1 (0.44) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL14921911 | 0.80 | PSMB1 (0.44) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL21348721 | 0.80 | SIGMAR1 (0.50) | HRH3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8805120 | 0.79 | PSMB1 (0.45) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL28882656 | 0.79 | PSMB1 (0.45) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 | |
| SCHEMBL9542012 | 0.78 | PSMB1 (0.43) | PSMB1PSMB5CHRNA7CYP3A4CYP1A2 |
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-2022247770-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海璎黎药业有限公司 | 2022-12-01 | — | — | WO | disclosed |