Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NT5C2 | P49902 | 2/20 | 0.37 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22118770 | 1.00 | BRD4 (0.40) | BRD4NPC1RAB9ANT5C2BRAF | |
| SCHEMBL5437606 | 0.86 | MKNK1 (0.38) | BRD4NPC1RAB9ANT5C2BRAF | |
| SCHEMBL536914 | 0.84 | BRAF (0.47) | BRD4NPC1RAB9ABRAFMKNK1 | |
| SCHEMBL28164595 | 0.81 | BRD4 (0.39) | BRD4NPC1RAB9ABRAFMKNK1 | |
| SCHEMBL23123 | 0.81 | BRD4 (0.64) | BRD4NPC1RAB9ANT5C2NT5E | |
| SCHEMBL19699540 | 0.80 | GSK3B (0.38) | BRD4NPC1RAB9ABRAFSMN1; SMN2 | |
| SCHEMBL17778780 | 0.80 | XDH (0.42) | BRD4NPC1RAB9ABRAFSMN1; SMN2 | |
| SCHEMBL67930 | 0.80 | JAK3 (0.39) | EGFR | |
| SCHEMBL8884122 | 0.80 | L3MBTL1 (0.38) | BRD4NPC1RAB9ABRAFSMN1; SMN2 | |
| SCHEMBL8381773 | 0.80 | BRD4 (0.63) | BRD4NPC1RAB9ANT5C2NT5E |
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-4021916-A1 | 4'-ETHYNYL-2'-DEOXYADENOSINE DERIVATIVES AND THEIR USE IN HIV THERAPY | GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) | 2022-07-06 | — | — | EP | disclosed |