Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.38 |
| ▸ | SERPINA3 | P01011 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HINT1 | P49773 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19575371 | 1.00 | TMIGD3 (0.41) | TMIGD3ADORA2AADORA1CDK1CCNB1 | |
| SCHEMBL26212539 | 0.92 | HDAC1 (0.42) | TMIGD3ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL19575639 | 0.92 | HDAC1 (0.42) | TMIGD3ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL26212252 | 0.92 | SERPINA3 (0.47) | TMIGD3ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL19575642 | 0.92 | SERPINA3 (0.47) | TMIGD3ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL26212177 | 0.89 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2 | |
| SCHEMBL19574920 | 0.89 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2 | |
| SCHEMBL20975164 | 0.88 | HDAC1 (0.43) | TMIGD3ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL26224146 | 0.85 | ALDH1A1 (0.37) | TMIGD3ADORA2AADORA1ALDH1A1HTT | |
| SCHEMBL19575392 | 0.82 | ALDH1A1 (0.39) | HDAC1CYP2C19ALDH1A1HTTFAAH |
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-3452477-B1 | ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B C I PHARMA (BE) | 2023-09-13 | — | — | EP | disclosed |