Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.64 |
| ▸ | DRD3 | P35462 | 5/20 | 0.64 |
| ▸ | HTR7 | P34969 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | SMO | Q99835 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | PHGDH | O43175 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7501593 | 0.91 | DRD2 (0.55) | DRD2ADRA1ADRD3HTR7TP53 | |
| SCHEMBL7498479 | 0.86 | DRD4 (0.59) | DRD2DRD3HTR7KDM4EPOLB | |
| SCHEMBL15937919 | 0.82 | HTR7 (0.69) | DRD2ADRA1ADRD3HTR7TP53 | |
| SCHEMBL27429090 | 0.81 | KDM4E (0.56) | DRD2DRD3KDM4EALDH1A1MAPT | |
| SCHEMBL7499824 | 0.80 | DRD2 (0.60) | DRD2ADRA1ADRD3KDM4EALDH1A1 | |
| SCHEMBL4934368 | 0.79 | DRD2 (1.00) | DRD2ADRA1ADRD3HTR7SIGMAR1 | |
| SCHEMBL27449673 | 0.78 | ALDH1A1 (0.43) | DRD2ADRA1ADRD3KDM4EALDH1A1 | |
| SCHEMBL8677877 | 0.78 | HTR7 (0.60) | DRD2ADRA1ADRD3HTR7TP53 | |
| SCHEMBL6864697 | 0.78 | SIGMAR1 (0.76) | DRD2DRD3HTR7TP53KDM4E | |
| SCHEMBL5181059 | 0.78 | DRD2 (0.98) | DRD2ADRA1ADRD3HTR7SIGMAR1 |
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 |