Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13624599 | 0.82 | MAOB (0.44) | CHKAGRM2HTR2AAPPCYP3A4 | |
| SCHEMBL19651371 | 0.69 | FDFT1 (0.47) | CHKAGRM2HTR2AAPPCYP3A4 | |
| SCHEMBL17900079 | 0.69 | MAOB (0.41) | CHKAGRM2HTR2AAPPCYP3A4 | |
| SCHEMBL16848650 | 0.67 | RARB (0.51) | CHKAGRM2HTR2AAPPCYP3A4 | |
| SCHEMBL16848654 | 0.67 | RARB (0.51) | CHKAGRM2HTR2AAPPCYP3A4 | |
| SCHEMBL16748099 | 0.66 | CYP17A1 (0.57) | CHKAGRM2CYP3A4PDE3BPDE3A | |
| SCHEMBL16922714 | 0.66 | APP (0.53) | GRM2APPMAOB | |
| SCHEMBL15587742 | 0.66 | AMY1A (0.39) | GRM2PDE3BPDE3A | |
| SCHEMBL19993271 | 0.65 | PTGS1 (0.38) | GRM2APPCYP3A4MAOBPTGS1 | |
| SCHEMBL16941050 | 0.65 | PTGS1 (0.46) | GRM2PDE3BPDE3ARARBMAOB |
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-2016096081-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |