Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.74 |
| ▸ | DRD4 | P21917 | 9/20 | 0.74 |
| ▸ | DRD3 | P35462 | 9/20 | 0.74 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7568635 | 0.92 | DRD2 (0.64) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7989455 | 0.87 | DRD2 (0.74) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7500526 | 0.86 | DRD2 (0.70) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7503673 | 0.86 | DRD2 (1.00) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7988434 | 0.85 | DRD2 (0.69) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7496912 | 0.85 | DRD4 (0.88) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7501372 | 0.85 | DRD2 (0.88) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7977304 | 0.85 | DRD2 (0.97) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL27429088 | 0.85 | DRD2 (0.97) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7502717 | 0.83 | DRD2 (0.80) | DRD2DRD4DRD3HTR1AHTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6258813-B1 | BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-07-10 | — | — | US | disclosed |