Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | CLK1 | P49759 | 3/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | CIT | O14578 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19969184 | 1.00 | DYRK1A (0.35) | DYRK1ACLK1CLK2CITAKT1 | |
| SCHEMBL18173872 | 0.90 | ALDH1A1 (0.41) | DYRK1ACLK1CLK2CITALDH1A1 | |
| SCHEMBL18173873 | 0.90 | ALDH1A1 (0.41) | DYRK1ACLK1CLK2CITALDH1A1 | |
| SCHEMBL18180208 | 0.83 | MAPT (0.42) | CITAKT1AKT2AKT3ALDH1A1 | |
| SCHEMBL16669966 | 0.82 | CIT (0.36) | DYRK1ACLK1CLK2CITAKT1 | |
| SCHEMBL16669965 | 0.82 | CIT (0.36) | DYRK1ACLK1CLK2CITAKT1 | |
| SCHEMBL21993358 | 0.80 | PAX8 (0.39) | DYRK1ACLK1CLK2AAK1 | |
| SCHEMBL18179939 | 0.80 | TRPM5 (0.39) | DYRK1ACLK1CLK2CITAKT1 | |
| SCHEMBL19962108 | 0.79 | CIT (0.40) | CITAKT1AKT2AKT3AAK1 | |
| SCHEMBL18179956 | 0.77 | CIT (0.37) | CITAKT1AKT2AKT3AAK1 |
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-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |