Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | GSR | P00390 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481806 | 0.86 | ENPP2 (0.47) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL8071790 | 0.83 | GSR (0.46) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL10747959 | 0.82 | ENPP2 (0.42) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL8049079 | 0.82 | ENPP2 (0.50) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL18193727 | 0.80 | GSR (0.44) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL8722500 | 0.80 | ENPP2 (0.48) | ENPP2AKR1C3GSRPTGS2 | |
| SCHEMBL9644843 | 0.80 | GSK3B (0.76) | GSK3B | |
| SCHEMBL7836035 | 0.79 | PTGS2 (0.49) | AKR1C3PTGS2 | |
| SCHEMBL7084244 | 0.77 | EPHX2 (0.53) | AKR1C3PTGS2 | |
| SCHEMBL8562014 | 0.77 | EPHX2 (0.53) | AKR1C3PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108864003-B | Preparation method of dapoxib intermediate and dapoxib | 江苏美迪克化学品有限公司 | 2020-06-16 | — | — | CN | claimed |
| CN-108864003-B | Preparation method of dapoxib intermediate and dapoxib | 江苏美迪克化学品有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-108864003-B | Preparation method of dapoxib intermediate and dapoxib | 江苏美迪克化学品有限公司 | 2020-06-16 | — | — | CN | disclosed |