Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | F11 | P03951 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | ANTXR2 | P58335 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10618469 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL1610093 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL28012040 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL6553392 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL6234811 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL30977227 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL12740045 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL14075098 | 0.91 | F11 (0.46) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL17327089 | 0.89 | F11 (0.44) | CYP2D6THRBHSD17B10F11ELANE | |
| SCHEMBL1727119 | 0.84 | CYP2D6 (0.36) | CYP2D6THRBHSD17B10F11ELANE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017206808-A1 | PROCESS FOR PREPARING DAPAGLIFLOZIN EUTECTIC MATTER | 上海医药工业研究院 | 2017-12-07 | — | — | WO | disclosed |
| CN-105153137-A | Preparation method of empagliflozin | SHANGHAI INST TECHNOLOGY | 2015-12-16 | — | — | CN | disclosed |