Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | ASPH | Q12797 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6742485 | 1.00 | COMT (0.35) | COMTARASPHAURKATMPRSS4 | |
| SCHEMBL6739221 | 0.80 | ASPH (0.34) | COMTASPHAURKA | |
| SCHEMBL23664435 | 0.80 | MBOAT4 (0.32) | COMTARASPHP2RX7CYP1A2 | |
| SCHEMBL6740290 | 0.80 | PIK3CD (0.38) | COMTARASPHP2RX7CYP1A2 | |
| SCHEMBL30593133 | 0.77 | ASPH (0.33) | ASPHAURKA | |
| SCHEMBL21606876 | 0.77 | PIK3CD (0.36) | ARAURKA | |
| SCHEMBL6742024 | 0.77 | PIK3CD (0.36) | COMTASPHAURKA | |
| SCHEMBL26608462 | 0.77 | ASPH (0.33) | ASPHAURKA | |
| Hydrochloric Acid SCHEMBL27573305 | 0.76 | PIK3CD (0.35) | ARAURKA | |
| SCHEMBL31214152 | 0.74 | PIK3CD (0.39) | COMTASPHCYP1A2LRRK2 |
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-110461828-B | IP6K inhibitors | 武田药品工业株式会社 | 2022-07-19 | — | — | CN | disclosed |