Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.36 |
| ▸ | HTR2B | P41595 | 7/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SPIN1 | Q9Y657 | 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 | |
|---|---|---|---|---|
| SCHEMBL984993 | 0.85 | CNR2 (0.35) | HTR2CHTR2BHTR2ARIPK1CNR2 | |
| SCHEMBL983516 | 0.84 | HTR2C (0.47) | HTR2CHTR2BHTR2ARIPK1 | |
| SCHEMBL1438795 | 0.83 | LPL (0.35) | HTR2CHTR2BHTR2A | |
| SCHEMBL984008 | 0.83 | PDE4B (0.40) | — | |
| SCHEMBL1440537 | 0.82 | PDE4B (0.35) | HTR2CHTR2BHTR2ARIPK1CNR2 | |
| SCHEMBL19931197 | 0.82 | P2RX3 (0.34) | HTR2CHTR2BHTR2ARIPK1CNR2 | |
| SCHEMBL1439046 | 0.81 | PDE4B (0.38) | HTR2CHTR2BHTR2A | |
| SCHEMBL1438849 | 0.81 | TSHR (0.38) | HTR2CHTR2BHTR2ARIPK1 | |
| SCHEMBL21190849 | 0.81 | BRD4 (0.44) | — | |
| SCHEMBL986207 | 0.81 | RIPK1 (0.46) | HTR2CHTR2BHTR2ARIPK1CNR2 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |