Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19575501 | 0.89 | HDAC1 (0.45) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL19575372 | 0.89 | HDAC1 (0.53) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL19575675 | 0.89 | HDAC1 (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL19575628 | 0.88 | HDAC1 (0.45) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL20975239 | 0.87 | HDAC1 (0.43) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL20972948 | 0.85 | TMIGD3 (0.38) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL19575387 | 0.84 | NSD3 (0.55) | ADORA2AADORA1NSD2NSD3 | |
| SCHEMBL19555217 | 0.84 | TDP1 (0.49) | ADORA2AADORA1ADORA2BMAPK1 | |
| SCHEMBL19575587 | 0.84 | TMIGD3 (0.47) | TMIGD3ADORA2AADORA1HDAC1HDAC6 | |
| SCHEMBL19575671 | 0.83 | DHFR (0.43) | TMIGD3ADORA2AADORA1ADORA2B |
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 |