Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL165776 | 1.00 | KHK (0.69) | KHKSMN1; SMN2ALDH1A1CYP11B2KEAP1 | |
| SCHEMBL29448447 | 1.00 | KHK (0.69) | KHKSMN1; SMN2ALDH1A1CYP11B2KEAP1 | |
| SCHEMBL31633214 | 0.85 | KHK (0.67) | KHKSMN1; SMN2ALDH1A1CYP11B2NPSR1 | |
| SCHEMBL14332441 | 0.85 | KHK (0.67) | KHKSMN1; SMN2ALDH1A1CYP11B2NPSR1 | |
| SCHEMBL566209 | 0.84 | KHK (0.57) | KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL19220966 | 0.83 | KHK (0.65) | KHKSMN1; SMN2ALDH1A1CYP11B2NPSR1 | |
| SCHEMBL23860801 | 0.82 | KHK (0.73) | KHKSMN1; SMN2ALDH1A1CYP11B2KEAP1 | |
| SCHEMBL33526529 | 0.82 | KHK (0.53) | KHKSMN1; SMN2ALDH1A1CYP11B2KEAP1 | |
| SCHEMBL6050497 | 0.82 | KHK (0.62) | KHKSMN1; SMN2ALDH1A1CYP11B2NPSR1 | |
| SCHEMBL9967116 | 0.82 | KHK (1.00) | KHKSMN1; SMN2ALDH1A1CYP11B2NPSR1 |
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-106661036-B | Pyrrolopyrimidines for use in influenza virus infection | 爱尔兰詹森科学公司 | 2022-03-15 | — | — | CN | disclosed |