Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29487576 | 0.83 | KDM1A (0.47) | ESR2CHRNB2CHRNA4PTGDR2 | |
| SCHEMBL22321256 | 0.83 | KDM1A (0.47) | ESR2CHRNB2CHRNA4PTGDR2 | |
| SCHEMBL22321255 | 0.83 | KDM1A (0.47) | ESR2CHRNB2CHRNA4PTGDR2 | |
| SCHEMBL24309549 | 0.81 | CYP1A2 (0.55) | ESR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20103351 | 0.81 | ESR2 (0.54) | ESR2CYP3A4CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL6437210 | 0.77 | ESR2 (0.53) | ESR2DYRK1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3164917 | 0.77 | ESR2 (0.53) | ESR2DYRK1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30386925 | 0.76 | CHRNB2 (0.41) | ESR2CHRNB2CHRNA4DPP4ESR1 | |
| SCHEMBL23054406 | 0.76 | CHRNB2 (0.41) | ESR2CHRNB2CHRNA4DPP4ESR1 | |
| SCHEMBL21644922 | 0.76 | FFAR1 (0.45) | PTGDR2 |
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-2018081047-A1 | CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-03 | — | — | WO | disclosed |