Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 11/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23216365 | 1.00 | QDPR (0.46) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL23216777 | 0.84 | QDPR (0.47) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL29768418 | 0.84 | QDPR (0.47) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL29768394 | 0.81 | QDPR (0.45) | QDPRHTR2CSLC18A3SIGMAR1HTR3A | |
| SCHEMBL23214982 | 0.81 | QDPR (0.45) | QDPRHTR2CSLC18A3SIGMAR1HTR3A | |
| SCHEMBL29768468 | 0.81 | QDPR (0.45) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL23216734 | 0.81 | QDPR (0.45) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL23216373 | 0.81 | QDPR (0.45) | QDPRHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL23216727 | 0.78 | HTR2A (0.45) | QDPRHTR2CIKBKB | |
| SCHEMBL23215227 | 0.77 | QDPR (0.43) | QDPRHTR2CHTR1ASLC6A2SLC6A4 |
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-114746151-A | Aryl heterocyclic compounds as Kv1.3 potassium Shaker channel blockers | D·E·萧尔研究有限责任公司 | 2022-07-12 | — | — | CN | disclosed |