Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.65 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.65 |
| ▸ | MLKL | Q8NB16 | 2/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
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 | 0.90 | GRIN1 (0.63) | GRIN1GRIN2BMLKLPTGESALOX5 | |
| SCHEMBL7516433 | 0.88 | GRIN1 (0.66) | GRIN1GRIN2BMLKLPTGESALOX5 | |
| SCHEMBL7508541 | 0.79 | GRIN1 (0.57) | GRIN1GRIN2BMLKLPTGESALOX5 | |
| SCHEMBL7456255 | 0.72 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL7452272 | 0.71 | GRIN1 (0.89) | GRIN1GRIN2B | |
| SCHEMBL7452878 | 0.69 | GRIN1 (1.00) | GRIN1GRIN2BPGR | |
| SCHEMBL7512484 | 0.69 | GRIN1 (0.64) | GRIN1GRIN2BCHEK2PGR | |
| SCHEMBL4237754 | 0.69 | GRIN1 (0.54) | GRIN1GRIN2BMEN1HTTKMT2A | |
| SCHEMBL4237749 | 0.67 | GRIN1 (0.50) | GRIN1GRIN2BMEN1KMT2ACHEK2 | |
| SCHEMBL24953738 | 0.67 | KDM4E (0.60) | GRIN1GRIN2BPTGESALOX5LTC4S |
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 |