Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4811503 | 0.81 | TSHR (0.42) | AKR1B1HSD17B10GABRA5GABRB2GSK3B | |
| SCHEMBL2789591 | 0.70 | GAA (0.42) | AKR1B1HSD17B10CA2CAMK2AKDM4E | |
| SCHEMBL4695505 | 0.69 | PTGDR2 (0.34) | THRB | |
| SCHEMBL9658959 | 0.67 | AKR1B1 (0.46) | AKR1B1HSD17B10GABRB2CA2CSNK2A2 | |
| SCHEMBL19475267 | 0.67 | AKR1B1 (0.56) | AKR1B1HSD17B10CA2CAMK2AKDM4E | |
| SCHEMBL7961734 | 0.67 | ADAMTS5 (0.40) | AKR1B1HSD17B10CA2CAMK2AKDM4E | |
| SCHEMBL4811379 | 0.67 | AKR1B1 (0.49) | AKR1B1KDM4EALDH1A1THRB | |
| SCHEMBL27866714 | 0.65 | GABRA5 (0.43) | HSD17B10GABRA5GABRB2GSK3BALDH1A1 | |
| SCHEMBL9117601 | 0.64 | F11 (0.46) | AKR1B1HSD17B10CA2KDM4EGAA | |
| SCHEMBL29188157 | 0.64 | KDM4E (0.46) | AKR1B1KDM4EGAAHPGDALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |
| EP-1569935-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052891-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-06-24 | — | — | WO | disclosed |