Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.57 |
| ▸ | MLKL | Q8NB16 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14770661 | 0.82 | MLKL (0.72) | MLKLRAB9ASMN1; SMN2NPC1KDM4E | |
| SCHEMBL7511793 | 0.80 | GRIN1 (0.63) | GRIN1GRIN2BMLKLPTGESALOX5 | |
| SCHEMBL14770690 | 0.79 | MLKL (0.52) | MLKLRAB9ASMN1; SMN2NPC1KDM4E | |
| SCHEMBL7517060 | 0.79 | GRIN1 (0.65) | GRIN1GRIN2BMLKLPTGESALOX5 | |
| SCHEMBL7516433 | 0.79 | GRIN1 (0.66) | GRIN1GRIN2BMLKLTP53SMN1; SMN2 | |
| SCHEMBL29861059 | 0.79 | ALDH1A1 (0.64) | RAB9ATP53SMN1; SMN2NPC1KDM4E | |
| SCHEMBL7793336 | 0.79 | ALDH1A1 (0.64) | RAB9ATP53SMN1; SMN2NPC1KDM4E | |
| SCHEMBL24953738 | 0.78 | KDM4E (0.60) | GRIN1GRIN2BRAB9ATP53SMN1; SMN2 | |
| SCHEMBL31206946 | 0.78 | KDM4E (0.60) | GRIN1GRIN2BRAB9ATP53SMN1; SMN2 | |
| SCHEMBL14770722 | 0.76 | MLKL (0.46) | MLKLKDM4EALDH1A1HPGDTSHR |
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 |