Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 10/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19839918 | 0.88 | GAA (0.49) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL19839346 | 0.87 | GAA (0.48) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL19853779 | 0.85 | GAA (0.51) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL19853781 | 0.84 | MMP1 (0.50) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL19839342 | 0.80 | RIPK1 (0.46) | OPRL1OPRM1MEN1KMT2ARIPK1 | |
| SCHEMBL1650545 | 0.78 | GAA (0.45) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL1650547 | 0.78 | GAA (0.45) | GAAMMP1MMP13GRM2CMA1 | |
| SCHEMBL19853782 | 0.77 | RIPK1 (0.51) | GAAOPRL1OPRM1MEN1KMT2A | |
| SCHEMBL19853780 | 0.77 | MEN1 (0.46) | OPRL1OPRM1MEN1KMT2ARIPK1 | |
| Nevadistinel SCHEMBL19850606 | 0.76 | GAA (0.51) | GAAMMP1MMP13GRM2CMA1 |
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-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |