Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10047134 | 0.87 | ADORA2A (0.51) | CDK1CCNB1CCNE1CDK2TMIGD3 | |
| SCHEMBL431825 | 0.85 | CDK1 (0.61) | CDK1CCNB1CCNE1CDK2KDM4E | |
| SCHEMBL10047144 | 0.85 | ADORA2A (0.52) | CDK1CDK2TMIGD3ADORA2AADORA1 | |
| SCHEMBL10047141 | 0.84 | ADORA2A (0.51) | CDK1CDK2TMIGD3ADORA2AADORA1 | |
| SCHEMBL10072757 | 0.83 | ADORA2A (0.48) | CDK1CDK2TMIGD3ADORA2AADORA1 | |
| SCHEMBL10047089 | 0.81 | ADORA2A (0.40) | CDK1CCNB1CCNE1CDK2TMIGD3 | |
| SCHEMBL611356 | 0.80 | CDK1 (0.43) | CDK1CDK2TMIGD3ADORA2AADORA1 | |
| SCHEMBL29728010 | 0.79 | ADORA2A (0.60) | ADORA2AADORA1ADORA2BLMNAEP300 | |
| SCHEMBL14611764 | 0.79 | CDK1 (0.48) | CDK1CCNB1CCNE1CDK2KDM4E | |
| SCHEMBL1565498 | 0.79 | ADORA2A (0.60) | ADORA2AADORA1ADORA2BLMNAEP300 |
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-2268607-B9 | PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID | CTI BIO (KR) | 2015-05-13 | — | — | EP | disclosed |