Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 5/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368583 | 0.90 | EPHX2 (0.48) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL5366013 | 0.86 | DRD4 (0.56) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL14425319 | 0.86 | DRD4 (0.56) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL18487141 | 0.86 | HPGD (0.55) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL5370645 | 0.83 | DRD4 (0.46) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL5360176 | 0.82 | HPGD (0.45) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL5365324 | 0.81 | CCR3 (0.49) | EPHX2GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL14425339 | 0.81 | ENPP2 (0.48) | EPHX2GAAHPGDGRIN2BPOLB | |
| SCHEMBL5362821 | 0.81 | ENPP2 (0.48) | EPHX2GAAHPGDGRIN2BPOLB | |
| SCHEMBL14425336 | 0.81 | HTR2C (0.47) | EPHX2GAAHPGDALDH1A1DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |