Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 13/20 | 0.64 |
| ▸ | DRD4 | P21917 | 10/20 | 0.64 |
| ▸ | DRD3 | P35462 | 8/20 | 0.64 |
| ▸ | HTR1A | P08908 | 6/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7510183 | 0.91 | DRD2 (0.79) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7995026 | 0.90 | DRD2 (0.78) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7505618 | 0.85 | DRD2 (0.86) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7499884 | 0.84 | DRD4 (0.67) | DRD2DRD4DRD3HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL27451078 | 0.84 | DRD2 (0.84) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7502588 | 0.83 | DRD4 (0.83) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7502942 | 0.82 | DRD4 (0.74) | DRD2DRD4DRD3HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL7989221 | 0.80 | DRD4 (0.71) | DRD2DRD4DRD3HTR1AHTR7 | |
| SCHEMBL6587585 | 0.80 | DRD2 (0.61) | DRD2DRD4DRD3HTR1A | |
| SCHEMBL8138271 | 0.79 | DRD4 (0.62) | DRD2DRD4DRD3ALDH1A1GAA |
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 4 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 |
| US-6258813-B1 | BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-07-10 | — | — | US | 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 |