Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 2/20 | 0.46 |
| ▸ | GABRD | O14764 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28053823 | 0.86 | CA1 (0.51) | CA1CA2CYP19A1MAOBCYP3A4 | |
| SCHEMBL1800595 | 0.83 | CA1 (0.56) | CA1CA2CYP19A1MAOBCYP3A4 | |
| SCHEMBL5472418 | 0.79 | HSD17B10 (0.54) | CA1CYP3A4HPGDSMN1; SMN2CA12 | |
| SCHEMBL9499096 | 0.79 | GAA (0.65) | CA1CA2CYP19A1MAOBHPGD | |
| SCHEMBL29466790 | 0.79 | MAOB (0.70) | CA1CA2MAOBCYP3A4CA12 | |
| SCHEMBL4970512 | 0.79 | CA1 (0.51) | CA1CA2CYP19A1MAOBCYP3A4 | |
| SCHEMBL30014125 | 0.79 | GAA (0.65) | CA1CA2CYP19A1MAOBHPGD | |
| SCHEMBL4449250 | 0.79 | ERAP1 (0.68) | CA1CA2CYP19A1MAOBCYP3A4 | |
| SCHEMBL669375 | 0.79 | MAOB (0.70) | CA1CA2MAOBCYP3A4CA12 | |
| SCHEMBL2355971 | 0.75 | CA1 (0.65) | CA1CA2CYP19A1CYP3A4HPGD |
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-107973768-A | The method of one-step synthesis coumarin kind compound | 江苏欣诺科催化剂有限公司 | 2018-05-01 | — | — | CN | disclosed |