Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.64 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.64 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7511793 | 0.78 | GRIN1 (0.63) | GRIN1GRIN2BCHEK2PGR | |
| SCHEMBL7452878 | 0.78 | GRIN1 (1.00) | GRIN1GRIN2BPGR | |
| SCHEMBL28015271 | 0.71 | PGR (1.00) | PGR | |
| SCHEMBL4303969 | 0.70 | ALDH1A1 (0.60) | GRIN1GRIN2BCHEK2 | |
| SCHEMBL1304492 | 0.70 | PDE10A (0.78) | PDE10A | |
| SCHEMBL13961616 | 0.70 | GRIN1 (0.54) | GRIN1GRIN2BCHEK2HDAC6 | |
| SCHEMBL7792325 | 0.70 | GRIN1 (0.44) | GRIN1GRIN2BCHEK2HDAC6 | |
| SCHEMBL3917089 | 0.69 | CHEK2 (0.70) | CHEK2HDAC6 | |
| SCHEMBL7516433 | 0.69 | GRIN1 (0.66) | GRIN1GRIN2BCHEK2PDE10A | |
| SCHEMBL7517060 | 0.69 | GRIN1 (0.65) | GRIN1GRIN2BCHEK2PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242076-A4 | 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2002-11-27 | — | — | EP | disclosed |
| EP-1242076-A1 | 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001032174-A1 | 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |