Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 2/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | GRB2 | P62993 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | HSD17B3 | P37058 | 9/20 | 0.55 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL13840541 | 0.88 | AKR1B1 (0.76) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL24023252 | 0.84 | HSD17B3 (0.76) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL6999818 | 0.80 | HSD17B3 (0.78) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL18721220 | 0.80 | HSD17B3 (0.78) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL14827224 | 0.78 | ALDH1A1 (0.56) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL2627659 | 0.75 | LCK (0.51) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL12221062 | 0.75 | KDM4E (0.80) | LCKALDH1A1KDM4EGAAGLA | |
| SCHEMBL14527910 | 0.75 | SLC18A1 (0.65) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL263980 | 0.74 | AKR1B1 (1.00) | LCKAKR1B1FYNGRB2ALDH1A1 | |
| SCHEMBL6703952 | 0.74 | ALDH1A1 (0.74) | AKR1B1ALDH1A1KDM4EGAAGLA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294720-B | A kind of dimerization chromone alkaloid compound and its preparation method and application | 云南民族大学 | 2017-07-18 | — | — | CN | disclosed |
| CN-104860912-B | Dimer ketone compound and preparation method and application thereof | 云南民族大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-105294720-A | Dimerization chromone alkaloid compound as well as preparation method and application thereof | UNIV YUNNAN NATIONALITIES | 2016-02-03 | — | — | CN | disclosed |
| CN-104860912-A | Dimer ketone compound and preparation method and application thereof | UNIV YUNNAN NATIONALITIES | 2015-08-26 | — | — | CN | disclosed |