Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.63 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MIF | P14174 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226810 | 0.85 | HSD17B3 (0.71) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL28208744 | 0.83 | NPC1 (0.64) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL125671 | 0.82 | HSD17B3 (0.71) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL31281312 | 0.81 | HSD17B3 (0.69) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL13585647 | 0.80 | MAOB (0.63) | KDM4EGLAGAANPSR1ALDH1A1 | |
| SCHEMBL10849966 | 0.79 | HSD17B3 (0.65) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL591899 | 0.78 | HSD17B3 (1.00) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL31366988 | 0.78 | HSD17B3 (1.00) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL14916149 | 0.77 | HSD17B3 (0.67) | HSD17B3ERAP1KDM4EGLAGAA | |
| SCHEMBL1608015 | 0.77 | ERAP1 (1.00) | HSD17B3ERAP1KDM4EGLAGAA |
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-106008434-B | A kind of synthetic method of 3- benzoyls coumarin kind compound | 青岛农业大学 | 2018-06-26 | — | — | CN | disclosed |
| CN-106008434-A | Synthetic method for 3-benzoyl coumarin compound | 青岛农业大学 | 2016-10-12 | — | — | CN | disclosed |