Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.33 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL19258966 | 0.80 | ALDH1A1 (0.35) | GRIN2BGRIN1 | |
| SCHEMBL33527364 | 0.73 | GRIN1 (0.36) | GRIN2BGRIN1MT-CO1MT-CO2EDNRA | |
| SCHEMBL19258971 | 0.71 | RPS6KA5 (0.36) | — | |
| SCHEMBL19258987 | 0.67 | GRIN1 (0.35) | GRIN2BGRIN1 | |
| SCHEMBL19259003 | 0.64 | HDAC8 (0.38) | — | |
| SCHEMBL19630106 | 0.61 | PIK3CB (0.41) | GRIN2BGRIN1 | |
| SCHEMBL29640181 | 0.61 | ELANE (0.41) | — | |
| SCHEMBL23544518 | 0.58 | — | — | |
| SCHEMBL30621458 | 0.58 | ALDH1A1 (0.39) | GRIN2BGRIN1 | |
| SCHEMBL19231295 | 0.58 | KCNH2 (0.39) | GRIN2BGRIN1MT-CO1MT-CO2EDNRA |
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-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |