Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6735721 | 0.84 | GRIN1 (0.39) | GRIN1GRIN2ACHRM2CHRM3 | |
| SCHEMBL14378010 | 0.83 | — | — | |
| SCHEMBL18868125 | 0.83 | — | — | |
| SCHEMBL29109490 | 0.81 | KMT2A (0.32) | GRIN1GRIN2ACHRM2CHRM3POLB | |
| SCHEMBL22450093 | 0.77 | GRIN1 (0.35) | GRIN1GRIN2APOLB | |
| SCHEMBL22449987 | 0.77 | GRIN1 (0.35) | GRIN1GRIN2APOLB | |
| SCHEMBL22449959 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL21124117 | 0.75 | GRIN1 (0.34) | GRIN1GRIN2A | |
| SCHEMBL22450075 | 0.75 | DUT (0.34) | — | |
| SCHEMBL22450068 | 0.74 | CYP19A1 (0.41) | CHRM2CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3712140-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | California Institute of Technology (US) | 2020-09-23 | — | — | EP | disclosed |