Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.43 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5739133 | 1.00 | BRD4 (0.48) | BRD4PTGS2BPTFMAOAMAOB | |
| SCHEMBL416127 | 0.76 | APP (0.50) | — | |
| SCHEMBL31065010 | 0.75 | RIPK1 (0.54) | BRD4NPC1ALDH1A1RAB9A | |
| SCHEMBL16417014 | 0.75 | MAPK1 (0.54) | BRD4MAOAMAOBKDM4ENPC1 | |
| SCHEMBL16416975 | 0.75 | AXL (0.50) | BRD4DYRK1BCDK5IKBKBCHUK | |
| SCHEMBL14735035 | 0.74 | BRD4 (0.53) | BRD4DYRK1BCDK5IKBKBCHUK | |
| SCHEMBL23110560 | 0.74 | BRD4 (0.50) | BRD4PTGS2 | |
| SCHEMBL16417052 | 0.74 | BRD4 (0.50) | BRD4MAOAMAOBALDH1A1 | |
| SCHEMBL16417000 | 0.74 | BRD4 (0.61) | BRD4KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL857607 | 0.73 | RIPK1 (0.61) | BRD4DYRK1BCDK5 |
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-4027993-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | The Broad Institute Inc. (US) | 2022-07-20 | — | — | EP | disclosed |