Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18685321 | 0.72 | NOS3 (0.35) | CHRM2CHRM3GAASMN1; SMN2ALOX15 | |
| SCHEMBL20465779 | 0.71 | CHRM2 (0.41) | CHRM2CHRM3GAASMN1; SMN2ALOX15 | |
| SCHEMBL22596444 | 0.71 | NOS3 (0.34) | CHRM2CHRM3GAASMN1; SMN2ALOX15 | |
| SCHEMBL22724670 | 0.71 | HTR2B (0.38) | CHRM2CHRM3PARP2NOS1NOS2 | |
| SCHEMBL2675996 | 0.64 | OPRM1 (0.62) | CHRM2CHRM3GAAALOX15HTR1A | |
| SCHEMBL2074737 | 0.64 | BRD4 (0.45) | CHRM2CHRM3PARP2NOS3NOS1 | |
| SCHEMBL8338221 | 0.63 | DPP4 (0.39) | CHRM2CHRM3PARP2 | |
| SCHEMBL17001968 | 0.62 | DPP4 (0.39) | CHRM2CHRM3PARP2 | |
| SCHEMBL17001889 | 0.61 | CHRM2 (0.41) | CHRM2CHRM3GAASMN1; SMN2ALOX15 | |
| SCHEMBL31544198 | 0.60 | OPRM1 (0.41) | CHRM2CHRM3HTR1AHTR1DHTR1B |
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-2020239077-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |