Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | AOC1 | P19801 | 3/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL3644242 | 0.87 | MEN1 (0.36) | CYP11B1CYP11B2XDHCHRNB4CHRNA3 | |
| SCHEMBL6136740 | 0.84 | MEN1 (0.34) | CYP11B1CYP11B2AOC3PDE4APDE4B | |
| SCHEMBL27512092 | 0.83 | CYP11B1 (0.33) | CYP11B1CYP11B2CHRNB4CHRNA3AOC1 | |
| SCHEMBL17150200 | 0.82 | CA12 (0.46) | CYP11B1CYP11B2AOC3CA12CA1 | |
| SCHEMBL5114144 | 0.82 | CYP11B1 (0.49) | CYP11B1CYP11B2HSD17B10CHRNB4CHRNA3 | |
| SCHEMBL29829964 | 0.82 | CYP11B1 (0.49) | CYP11B1CYP11B2HSD17B10CHRNB4CHRNA3 | |
| SCHEMBL3643414 | 0.79 | BUB1 (0.34) | CYP11B1CYP11B2XDHCHRNB4CHRNA3 | |
| SCHEMBL15596168 | 0.77 | CHRNB2 (0.47) | CYP11B1CYP11B2CHRNB4CHRNA3CA12 | |
| SCHEMBL15858729 | 0.77 | CHRNB4 (0.50) | CHRNB4CHRNA3CA12CA1CA2 | |
| SCHEMBL4959255 | 0.75 | PTGS1 (0.36) | CHRNB4CHRNA3CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024199069-A1 | POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF | 浙江养生堂天然药物研究所有限公司 | 2024-10-03 | — | — | WO | disclosed |
| CN-118724916-A | Polyaryl-containing macrocyclic compounds and uses thereof | 浙江养生堂天然药物研究所有限公司 | 2024-10-01 | — | — | CN | disclosed |