Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NLN | Q9BYT8 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20502324 | 0.83 | CYP2C9 (0.53) | DRD2HTR2AHRH1ATMNLN | |
| SCHEMBL5373262 | 0.80 | ALDH1A1 (0.56) | CYP2C9CYP2C19MAPK14KMT2ACCR3 | |
| SCHEMBL5206501 | 0.78 | OPRM1 (0.49) | KMT2ACCR3POLBMEN1 | |
| SCHEMBL28329339 | 0.77 | EPHX2 (0.57) | DRD2HTR2AHRH1ATMNLN | |
| SCHEMBL5205363 | 0.76 | F2 (0.44) | KMT2AGRIN2BF2GRIN1POLB | |
| SCHEMBL16825244 | 0.75 | GPR119 (0.60) | NLNKMT2AGRIN2BKDM4EMEN1 | |
| SCHEMBL5240588 | 0.75 | ATM (0.58) | DRD2HTR2AHRH1ATMNLN | |
| SCHEMBL3813779 | 0.74 | HRH3 (0.49) | CYP2C9CYP2C19MAPK14KMT2AALDH1A1 | |
| SCHEMBL27953556 | 0.74 | ATM (0.53) | DRD2HTR2AHRH1ATMNLN | |
| SCHEMBL5206103 | 0.73 | OPRM1 (0.49) | KDM4E |
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-1565453-A4 | 2- (4-BENZYL)-1-PIPERIDINYL)METHYL|BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-10-10 | — | — | EP | disclosed |
| EP-1565453-A1 | 2- (4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004048364-A1 | 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |