Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16707133 | 1.00 | BRD4 (0.40) | BRD4HCAR3TDP1 | |
| SCHEMBL16707142 | 0.77 | BRD4 (0.40) | BRD4HCAR3 | |
| SCHEMBL19672501 | 0.77 | BRD4 (0.40) | BRD4HCAR3 | |
| SCHEMBL16703654 | 0.75 | BRD4 (0.39) | BRD4HCAR3TDP1 | |
| SCHEMBL19672457 | 0.75 | BRD4 (0.39) | BRD4HCAR3TDP1 | |
| SCHEMBL18508189 | 0.65 | ALDH1A1 (0.41) | HCAR3TDP1 | |
| SCHEMBL29719399 | 0.65 | ALDH1A1 (0.41) | HCAR3TDP1 | |
| SCHEMBL16489552 | 0.65 | NPC1 (0.41) | HCAR3 | |
| SCHEMBL18496296 | 0.65 | ALDH1A1 (0.41) | HCAR3TDP1 | |
| SCHEMBL19672450 | 0.65 | NPC1 (0.41) | HCAR3 |
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-3066104-B1 | TRIAZOLOPYRAZINE DERIVATIVES AS BRD4 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2017-12-06 | — | — | EP | disclosed |