Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | DRD4 | P21917 | 5/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5366013 | 0.87 | DRD4 (0.56) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL14425319 | 0.87 | DRD4 (0.56) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL18487141 | 0.87 | HPGD (0.55) | HPGDSMN1; SMN2ALDH1A1DRD4DRD2 | |
| SCHEMBL14425334 | 0.83 | NPC1L1 (0.45) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL5368583 | 0.83 | EPHX2 (0.48) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL5360946 | 0.82 | EPHX2 (0.47) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL5365324 | 0.82 | CCR3 (0.49) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL5368664 | 0.81 | DRD4 (0.54) | HPGDALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL5364454 | 0.80 | GRIN2B (0.46) | HPGDSMN1; SMN2ALDH1A1GAANPC1 | |
| SCHEMBL14425331 | 0.80 | EPHX2 (0.47) | HPGDSMN1; SMN2ALDH1A1DRD4DRD2 |
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 |