Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.47 |
| ▸ | EGFR | P00533 | 8/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23624869 | 0.79 | ADORA2A (0.54) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL1748962 | 0.77 | IMPDH2 (0.47) | GSK3BCDK5CDK5R1 | |
| SCHEMBL16041244 | 0.76 | CDC7 (0.59) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL20928367 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL31240593 | 0.76 | CDC7 (0.59) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL1778024 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL3604759 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL29955037 | 0.76 | ADORA2A (0.52) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL26104732 | 0.76 | KDM5A (0.61) | ADORA2AADORA1CCNB2CDK1CCNB1 | |
| SCHEMBL26102930 | 0.76 | CDC7 (0.62) | ADORA2AADORA1CCNB2CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |