Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.49 |
| ▸ | SLC13A2 | Q13183 | 1/20 | 0.49 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | HTR1F | P30939 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL12093547 | 0.77 | SLC13A5 (0.51) | SLC13A5SLC13A2SLC13A3CYP2C9L3MBTL1 | |
| SCHEMBL24802441 | 0.76 | HTR1A (0.40) | HTR2AHTR6HTR1AHTR1DHTR1B | |
| SCHEMBL24092341 | 0.75 | SLC13A5 (0.47) | SLC13A5SLC13A2SLC13A3CYP2C9 | |
| SCHEMBL20670339 | 0.75 | SLC13A5 (0.47) | SLC13A5SLC13A2SLC13A3CYP2C9 | |
| SCHEMBL5780686 | 0.75 | SLC13A5 (0.50) | SLC13A5SLC13A2SLC13A3CYP2C9 | |
| SCHEMBL5780868 | 0.75 | SLC13A5 (0.50) | SLC13A5SLC13A2SLC13A3CYP2C9 | |
| SCHEMBL29863385 | 0.73 | HTR2A (0.41) | HTR2ACYP2D6HRH1HTR6HTR3E | |
| SCHEMBL21459468 | 0.73 | HTR2A (0.41) | HTR2ACYP2D6HRH1HTR6HTR3E | |
| SCHEMBL24802457 | 0.73 | SLC13A5 (0.49) | SLC13A5SLC13A2SLC13A3 | |
| SCHEMBL2254432 | 0.73 | SLC6A4 (0.40) | HTR2ACYP2D6CYP1A2 |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |