Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 4/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.32 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | FECH | P22830 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17471304 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HTR2ASLC6A4SLC6A2HTR2B | |
| SCHEMBL10330205 | 0.82 | SLC6A2 (0.39) | ALDH1A1HTR2ASLC6A4SLC6A2HTR2B | |
| SCHEMBL272144 | 0.79 | — | — | |
| SCHEMBL271860 | 0.79 | — | — | |
| SCHEMBL271861 | 0.79 | — | — | |
| SCHEMBL1655750 | 0.77 | HTR2A (0.44) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| Hydrochloric Acid SCHEMBL3942366 | 0.77 | ADRA2C (0.54) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| Hydrochloric Acid SCHEMBL272352 | 0.77 | ADRA2C (0.54) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| Hydrochloric Acid SCHEMBL272353 | 0.77 | ADRA2C (0.54) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL16305073 | 0.76 | ALDH1A1 (0.67) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3992197-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2022-05-04 | — | — | EP | disclosed |
| WO-2021023209-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 北京志健金瑞生物医药科技有限公司 | 2021-02-11 | — | — | WO | disclosed |