Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25384842 | 1.00 | ADORA2A (0.40) | ADORA2AADORA1CHEK1CHEK2HRH3 | |
| SCHEMBL30509212 | 0.79 | NOS1 (0.41) | CHEK1CHEK2HTR7 | |
| SCHEMBL25382669 | 0.79 | NOS1 (0.41) | CHEK1CHEK2HTR7 | |
| SCHEMBL25383502 | 0.77 | HTR7 (0.43) | HRH3TLR8CHRNB2CHRNA4NUDT1 | |
| SCHEMBL26977882 | 0.76 | ADORA2A (0.47) | ADORA2AADORA1CSNK1A1CLK4NUDT1 | |
| SCHEMBL12985532 | 0.73 | CHEK1 (0.39) | CHEK1CHEK2HRH3CHRNB2CHRNA4 | |
| SCHEMBL16669652 | 0.73 | FGFR4 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL29314144 | 0.71 | ADORA2A (0.38) | ADORA2AADORA1CSNK1A1CLK4NUDT1 | |
| SCHEMBL2552574 | 0.70 | SLC6A4 (0.44) | CHEK1CHEK2HTR7 | |
| SCHEMBL25598905 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1CSNK1A1CLK4NUDT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116635390-A | Potent and selective compounds as serotonin 1B receptor modulators | 莱科斯生物技术公司 | 2023-08-22 | — | — | CN | disclosed |
| EP-4225753-A1 | POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS | Leukos Biotech, S.L. (ES) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022074103-A1 | POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS | LEUKOS BIOTECH, S.L. (ES) | 2022-04-14 | — | — | WO | disclosed |