Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | CPT2 | P23786 | 1/20 | 0.41 |
| ▸ | CPT1A | P50416 | 1/20 | 0.41 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9128047 | 0.89 | PARP1 (0.47) | PARP1DRD2DRD4DRD3OPRK1 | |
| SCHEMBL9130335 | 0.81 | OPRD1 (0.64) | PARP1DRD2DRD4DRD3OPRK1 | |
| SCHEMBL9130908 | 0.79 | OPRK1 (0.48) | DRD4OPRK1NPC1 | |
| SCHEMBL9129888 | 0.78 | OPRK1 (0.46) | DRD4OPRK1NPC1 | |
| Hydrochloric Acid SCHEMBL10690631 | 0.77 | OPRK1 (0.67) | DRD4OPRK1NPC1 | |
| Hydrochloric Acid SCHEMBL9803205 | 0.77 | OPRK1 (0.67) | DRD4OPRK1NPC1 | |
| Hydrochloric Acid SCHEMBL10691626 | 0.77 | OPRK1 (0.67) | DRD4OPRK1NPC1 | |
| SCHEMBL9126782 | 0.76 | OPRK1 (0.45) | DRD4OPRK1NPC1 | |
| SCHEMBL14073049 | 0.75 | PARP1 (0.56) | PARP1DRD2DRD4DRD3NR3C2 | |
| SCHEMBL14073038 | 0.72 | PARP1 (0.48) | PARP1DRD2DRD4DRD3CXCR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1121072-A | Acetamides | MERCK PATENG GES MIT BESCHRANK (DE) | 1996-04-24 | — | — | CN | disclosed |
| US-5472961-A | Acetamides | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-12-05 | — | — | US | disclosed |
| EP-0670318-A2 | Acetamides with analgesic and neuroprotective activity | MERCK PATENT GmbH (DE) | 1995-09-06 | — | — | EP | disclosed |