Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352745 | 0.86 | CA1 (0.46) | POLBGAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL12134446 | 0.81 | CYP1A2 (0.44) | POLBGAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL14775426 | 0.80 | PTGS2 (0.43) | ALDH1A1PTGS2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12092012 | 0.78 | MCHR1 (0.43) | ALDH1A1 | |
| SCHEMBL14775430 | 0.78 | PTGS2 (0.42) | POLBGAAALDH1A1PTGS2CYP1A2 | |
| SCHEMBL12134768 | 0.78 | ALDH1A1 (0.40) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12092010 | 0.78 | MCHR1 (0.43) | ALDH1A1 | |
| SCHEMBL12092013 | 0.78 | MCHR1 (0.43) | ALDH1A1 | |
| SCHEMBL29151790 | 0.78 | MAPK14 (0.40) | POLBGAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28323651 | 0.77 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113307726-B | Preparation method and application of propyne aryl ether compound | 乐山师范学院 | 2024-02-02 | — | — | CN | disclosed |
| CN-113307726-A | Preparation method and application of propyne aryl ether compound | 乐山师范学院 | 2021-08-27 | — | — | CN | disclosed |