Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20160889 | 0.74 | L3MBTL3 (0.39) | GRIN1GRIN2BPARP1 | |
| SCHEMBL18923991 | 0.70 | L3MBTL3 (0.42) | GRIN1GRIN2BPARP1 | |
| SCHEMBL6032734 | 0.69 | HRH3 (0.36) | GRIN1GRIN2BPARP1 | |
| SCHEMBL9115580 | 0.69 | — | — | |
| SCHEMBL19958761 | 0.69 | L3MBTL3 (0.41) | PARP1 | |
| SCHEMBL16374578 | 0.69 | L3MBTL3 (0.41) | PARP1 | |
| SCHEMBL1800548 | 0.69 | OPRL1 (0.45) | GRIN1GRIN2BPARP1 | |
| Hydrochloric Acid SCHEMBL3970067 | 0.67 | OPRL1 (0.46) | GRIN1GRIN2BPARP1 | |
| SCHEMBL1796114 | 0.66 | HRH3 (0.40) | GRIN1GRIN2BPARP1 | |
| SCHEMBL14880516 | 0.66 | ALDH1A1 (0.38) | GRIN1GRIN2BPARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |