Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.76 |
| ▸ | DRD3 | P35462 | 6/20 | 0.76 |
| ▸ | DRD4 | P21917 | 5/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7500134 | 0.86 | DRD2 (1.00) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL7495127 | 0.84 | DRD2 (0.75) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL3585542 | 0.83 | ALDH1A1 (1.00) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL1876523 | 0.83 | MEN1 (0.87) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL7508008 | 0.80 | DRD4 (0.62) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL7508092 | 0.79 | ALDH1A1 (0.67) | DRD2DRD3DRD4ALDH1A1TSHR | |
| Maleic Acid SCHEMBL7988113 | 0.78 | DRD2 (0.82) | DRD2DRD3DRD4ALDH1A1TSHR | |
| Fumaric Acid SCHEMBL7988118 | 0.78 | DRD2 (0.82) | DRD2DRD3DRD4ALDH1A1TSHR | |
| SCHEMBL31010302 | 0.77 | HRH3 (0.70) | ALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL8357217 | 0.77 | ALDH1A1 (0.82) | DRD2DRD3DRD4ALDH1A1TSHR |
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 |