Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.51 |
| ▸ | HTR2A | P28223 | 5/20 | 0.51 |
| ▸ | HTR2B | P41595 | 4/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | GALE | Q14376 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399423 | 1.00 | HTR2C (0.51) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL9781225 | 0.84 | NPC1 (0.50) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL2520491 | 0.84 | TSHR (0.44) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL23216493 | 0.83 | HTR2C (0.49) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL29782302 | 0.83 | HTR2C (0.49) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL2522641 | 0.82 | TSHR (0.49) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL30826270 | 0.82 | HTR2C (0.48) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL13303863 | 0.80 | HTR2C (0.40) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL2478120 | 0.80 | MAOB (0.42) | HTR2CHTR2AHTR2BADRA2AADRA2B | |
| SCHEMBL9258987 | 0.79 | MAPT (0.54) | HTR2CHTR2AHTR2BADRA2AADRA2B |
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-117946111-A | Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |