Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.38 |
| ▸ | PDE8A | O60658 | 2/20 | 0.37 |
| ▸ | SERPINA3 | P01011 | 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 | |
|---|---|---|---|---|
| SCHEMBL19575639 | 1.00 | HDAC1 (0.42) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL20975164 | 0.97 | HDAC1 (0.43) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL26212223 | 0.92 | TMIGD3 (0.41) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL19575371 | 0.92 | TMIGD3 (0.41) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL19575642 | 0.90 | SERPINA3 (0.47) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL26212252 | 0.90 | SERPINA3 (0.47) | HDAC1TMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL26212177 | 0.87 | ADORA2A (0.49) | ADORA2AADORA1ADORA2B | |
| SCHEMBL19574920 | 0.87 | ADORA2A (0.49) | ADORA2AADORA1ADORA2B | |
| SCHEMBL26224146 | 0.84 | ALDH1A1 (0.37) | TMIGD3ADORA2AADORA1 | |
| SCHEMBL19575724 | 0.82 | PPARG (0.37) | — |
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 |