Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | PI4KA | P42356 | 1/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | AHCY | P23526 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21526818 | 0.90 | CYP3A4 (0.45) | CYP3A4ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL19370540 | 0.87 | CYP3A4 (0.66) | CYP3A4CYP2D6 | |
| SCHEMBL14849943 | 0.87 | CYP3A4 (0.66) | CYP3A4CYP2D6 | |
| SCHEMBL28045212 | 0.87 | CYP3A4 (0.66) | CYP3A4CYP2D6 | |
| SCHEMBL22182449 | 0.81 | CYP3A4 (0.72) | CYP3A4ADORA2ACYP2D6ALDH1A1ADORA1 | |
| SCHEMBL23677944 | 0.79 | FGFR1 (0.64) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21518162 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP2D6 | |
| SCHEMBL20324856 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP2D6 | |
| SCHEMBL20324418 | 0.77 | CYP3A4 (0.61) | CYP3A4CYP2D6 | |
| SCHEMBL28607692 | 0.77 | ADORA2A (0.46) | CYP3A4ADORA2API4KAPI4K2BPI4K2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019237957-A1 | PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-12-19 | — | — | WO | disclosed |
| WO-2018113652-A1 | NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-06-28 | — | — | WO | disclosed |