Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 6/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28339300 | 1.00 | KDM4E (0.42) | KDM4ELMNAADORA3PKMADORA2A | |
| Hydrochloric Acid SCHEMBL29092597 | 0.99 | KDM4E (0.41) | KDM4ELMNAADORA3PKMADORA2A | |
| SCHEMBL28337178 | 0.88 | BRD4 (0.52) | KDM4ELMNAADORA3PKMADORA2A | |
| SCHEMBL29092145 | 0.83 | PDE2A (0.44) | BRD4 | |
| SCHEMBL29092133 | 0.83 | PDE2A (0.44) | BRD4 | |
| SCHEMBL29092513 | 0.81 | BRD4 (0.43) | BRD4MEN1KMT2A | |
| SCHEMBL29092907 | 0.81 | BRD4 (0.43) | BRD4MEN1KMT2A | |
| SCHEMBL24799293 | 0.74 | BRD4 (0.53) | LMNABRD4FAAHHSD17B10ALDH1A1 | |
| SCHEMBL30143728 | 0.71 | BRD4 (0.64) | KDM4EBRD4FAAHHSD17B10ALDH1A1 | |
| SCHEMBL28206403 | 0.70 | BRD4 (0.49) | BRD4FAAHALDH1A1TDP1ALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110582485-B | Pyrazole derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2023-10-13 | — | — | CN | claimed |
| EP-3589618-B1 | PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2022-12-28 | — | — | EP | disclosed |
| CN-110582485-A | Pyrazole derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2019-12-17 | — | — | CN | disclosed |