Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.54 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.54 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 3/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 5/20 | 0.46 |
| ▸ | CACNG8 | Q8WXS5 | 4/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6766299 | 0.87 | MEN1 (0.46) | GRIK1GRIK2GRIK3GRIA1CACNG8 | |
| SCHEMBL10626283 | 0.77 | ALDH1A1 (0.64) | ERN1NCOA1NCOA3MMP2MMP9 | |
| SCHEMBL22220936 | 0.74 | PTGS2 (0.56) | ERN1CYP1A2CYP3A4MAPTLRRK2 | |
| SCHEMBL20838850 | 0.74 | GRIA1 (0.49) | GRIK1PDE3BPDE3AGRIA1CACNG8 | |
| SCHEMBL18632516 | 0.72 | PDE3B (0.67) | GRIK1GRIK2GRIK3PDE3BPDE3A | |
| SCHEMBL22259504 | 0.72 | CYP3A4 (0.50) | ERN1MMP2MMP9MMP8LMNA | |
| SCHEMBL22259503 | 0.72 | GSK3B (0.56) | ERN1CLK4LRRK2MAPK1 | |
| SCHEMBL2455635 | 0.72 | CLK4 (0.53) | ERN1LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1119917 | 0.71 | MAPT (0.57) | LMNAMAPTALDH1A1KDM4EMAPK1 | |
| SCHEMBL1004649 | 0.71 | ALDH1A1 (0.73) | ERN1NCOA1NCOA3MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |