Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | SLC29A1 | Q99808 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2996929 | 0.90 | CYP1A2 (0.40) | ADORA2ACYP2C19SLC29A1CYP1A2CYP3A4 | |
| SCHEMBL2991768 | 0.88 | ADORA2A (0.34) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL3001859 | 0.86 | CYP1A2 (0.39) | ADORA2ACYP2C19SLC29A1CYP1A2CYP3A4 | |
| SCHEMBL2995163 | 0.85 | ADORA2A (0.35) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL2943049 | 0.83 | CYP2C19 (0.34) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL3000654 | 0.83 | HSP90AA1 (0.35) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL2995693 | 0.82 | HSP90AB1 (0.42) | HSP90AA1HSP90AB1CDK1CCNB1CCNE1 | |
| SCHEMBL2941709 | 0.82 | HK1 (0.35) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL2907738 | 0.80 | HSP90AA1 (0.37) | ADORA2AHSP90AA1HSP90AB1DHFRCYP2C19 | |
| SCHEMBL3005658 | 0.80 | CCNE1 (0.49) | ADORA2AHSP90AA1HSP90AB1CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358198-B1 | NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME | LG LIFE SCIENCES LTD (KR) | 2010-08-25 | — | — | EP | claimed |