Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA4 | P22748 | 4/20 | 0.35 |
| ▸ | CA5A | P35218 | 4/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL13297616 | 1.00 | CYP2D6 (0.39) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL13777015 | 1.00 | CYP2D6 (0.39) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL2888522 | 1.00 | CYP2D6 (0.39) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL3418339 | 0.90 | CDK1 (0.40) | CYP2D6THRBHSD17B10CA2EPHX2 | |
| SCHEMBL4581259 | 0.89 | CYP2D6 (0.42) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL745908 | 0.86 | EPHX2 (0.33) | EPHX2CDK1CCNB1LDHA | |
| SCHEMBL14435948 | 0.85 | CYP2D6 (0.41) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL13297613 | 0.85 | CYP2D6 (0.41) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL8038328 | 0.84 | CYP2D6 (0.47) | CYP2D6THRBHSD17B10CA2CA1 | |
| SCHEMBL13777010 | 0.83 | CYP2D6 (0.41) | CYP2D6EPHX2TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007096726-A2 | PROCESS FOR THE PREPARATION OF A GLUCOSE DERIVATIVE | EMCURE PHARMACEUTICALS LIMITED (IN) | 2007-08-30 | — | — | WO | disclosed |