Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 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 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FAP | Q12884 | 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 | |
|---|---|---|---|---|
| SCHEMBL23516234 | 0.88 | CYP3A4 (0.53) | CYP3A4ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL21592220 | 0.88 | ADORA2A (0.45) | CYP3A4ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL27886800 | 0.82 | CYP3A4 (0.61) | CYP3A4ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL16397567 | 0.82 | CYP3A4 (0.61) | CYP3A4ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL21592219 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2D6FAP | |
| SCHEMBL21592218 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2D6FAP | |
| SCHEMBL20324292 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2D6FAP | |
| SCHEMBL20324259 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2D6FAP | |
| SCHEMBL20324845 | 0.76 | CYP3A4 (0.51) | CYP3A4CYP2D6FAP | |
| SCHEMBL21592221 | 0.76 | CYP3A4 (0.56) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3808752-A1 | PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2021-04-21 | — | — | EP | disclosed |
| 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 |