Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 1.00 |
| ▸ | DRD4 | P21917 | 9/20 | 1.00 |
| ▸ | DRD3 | P35462 | 8/20 | 1.00 |
| ▸ | HTR1A | P08908 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | CLK3 | P49761 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.45 |
| ▸ | WNT1 | P04628 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7977779 | 0.98 | DRD2 (0.96) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7504486 | 0.87 | DRD2 (1.00) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7991758 | 0.85 | DRD2 (0.96) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7505101 | 0.83 | DRD2 (1.00) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7503673 | 0.83 | DRD2 (1.00) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7977304 | 0.82 | DRD2 (0.97) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL27429088 | 0.82 | DRD2 (0.97) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7503409 | 0.80 | DRD2 (1.00) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7496912 | 0.78 | DRD4 (0.88) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7505601 | 0.78 | DRD2 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931067-B1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-06-26 | — | — | EP | disclosed |
| EP-0931067-A1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998011068-A1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1998-03-19 | — | — | WO | disclosed |