Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.48 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1745460 | 0.87 | HSD17B1 (0.63) | HSD17B1PTGS2HSD17B3KDM4EHTT | |
| SCHEMBL29392039 | 0.86 | MAOB (0.54) | BRD4PBRM1HRH3KDM4EHTT | |
| SCHEMBL251842 | 0.86 | MAOB (0.54) | BRD4PBRM1HRH3KDM4EHTT | |
| SCHEMBL5208267 | 0.81 | BRD4 (0.55) | BRD4PBRM1HSD17B1PTGS2PDE4D | |
| SCHEMBL6130607 | 0.80 | MAPK14 (0.56) | KDM4EHTTMAOB | |
| Butane SCHEMBL4688097 | 0.80 | BRD4 (0.52) | BRD4PBRM1HRH3KDM4EHTT | |
| SCHEMBL7180348 | 0.79 | MEN1 (0.56) | BRD4PBRM1HSD17B1HSD17B3KDM4E | |
| Acetic Acid SCHEMBL6934641 | 0.79 | MAOB (0.51) | BRD4PBRM1HRH3KDM4EHTT | |
| SCHEMBL3010868 | 0.78 | HSD17B1 (0.65) | BRD4HSD17B1HTTMAOBALDH1A1 | |
| SCHEMBL27895 | 0.77 | MAOB (0.67) | BRD4HRH3MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |