Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 6/20 | 0.49 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29919528 | 1.00 | GPBAR1 (0.58) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL7209087 | 0.78 | GPBAR1 (0.91) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL3830418 | 0.78 | GPBAR1 (0.64) | GPBAR1TSHRALDH1A1MAPK1POLB | |
| SCHEMBL15624090 | 0.77 | PKM (0.53) | TSHRALDH1A1POLBLMNAHSD17B10 | |
| SCHEMBL7205052 | 0.77 | GPBAR1 (0.88) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL6367892 | 0.75 | GPBAR1 (0.97) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL4184681 | 0.75 | GPBAR1 (0.90) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL3830421 | 0.75 | GPBAR1 (0.90) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| Sb-756050 SCHEMBL4174350 | 0.74 | GPBAR1 (1.00) | GPBAR1TSHRMCOLN3ALDH1A1MAPK1 | |
| SCHEMBL1933332 | 0.72 | PKM (0.53) | TSHRALDH1A1POLBLMNACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114957121-A | Synthesis method of 7-dicarbonyl azepine derivative | 中国人民解放军国防科技大学 | 2022-08-30 | — | — | CN | disclosed |