Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 3/20 | 0.39 |
| ▸ | CASP6 | P55212 | 3/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29708064 | 1.00 | CNR1 (0.41) | CNR1CNR2CYP2C9BCL2L1CASP1 | |
| SCHEMBL28459943 | 1.00 | CNR1 (0.41) | CNR1CNR2CYP2C9BCL2L1CASP1 | |
| SCHEMBL14820993 | 0.88 | CNR1 (0.42) | CNR1CNR2CYP2C9KMT2AKDM4E | |
| SCHEMBL10208294 | 0.85 | BCL2L1 (0.41) | CNR2BCL2L1CASP1CASP3CASP7 | |
| SCHEMBL1274611 | 0.85 | CNR2 (0.41) | CNR1CNR2CYP2C9KMT2AKDM4E | |
| SCHEMBL724231 | 0.83 | BCL2L1 (0.48) | BCL2L1CASP1CASP3CASP7CASP6 | |
| SCHEMBL12654939 | 0.80 | ANPEP (0.41) | TSHRCYP3A4MAPK1KDM4EL3MBTL1 | |
| SCHEMBL10208163 | 0.80 | ALDH1A1 (0.40) | CNR1CNR2MAPK1KMT2AKDM4E | |
| SCHEMBL22341518 | 0.80 | KDM4E (0.45) | CNR1CNR2CYP2C9KMT2AKDM4E | |
| SCHEMBL22341517 | 0.80 | KDM4E (0.45) | CNR1CNR2CYP2C9KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111909231-A | 2 ' and/or 5 ' -amino acid ester phosphoramidate 3 ' -deoxyadenosine derivatives as anticancer compounds | 努卡那有限公司 | 2020-11-10 | — | — | CN | disclosed |
| CN-107207554-B | 2 ' and/or 5 ' -amino acid ester phosphoramidate 3 ' -deoxyadenosine derivatives as anticancer compounds | 努卡那有限公司 | 2020-09-11 | — | — | CN | disclosed |