Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7844713 | 0.93 | GSK3B (0.47) | GSK3BHTR7ADRA1ADRD2DRD3 | |
| SCHEMBL7844493 | 0.90 | DRD2 (0.52) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8041535 | 0.89 | DRD2 (0.51) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| SCHEMBL7840083 | 0.88 | GSK3B (0.50) | GSK3BHTR7ADRA1AHTR1ADRD2 | |
| SCHEMBL7838517 | 0.85 | DRD2 (0.57) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| SCHEMBL7829445 | 0.85 | DRD2 (0.55) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8039750 | 0.84 | DRD2 (0.54) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| SCHEMBL7838166 | 0.81 | DRD2 (0.49) | GSK3BHTR7ADRA1BADRA1DADRA1A | |
| SCHEMBL7839766 | 0.80 | ADRA1B (0.54) | HTR7ADRA1BADRA1DADRA1AHTR1A | |
| SCHEMBL8547573 | 0.78 | GSK3B (0.46) | GSK3BHTR7ADRA1BADRA1DADRA1A |
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-0839144-B1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL GMBH (DE) | 2001-09-19 | — | — | EP | claimed |
| US-6114334-A | CENTRAL NERVOUS SYSTEM DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |
| EP-0839144-A1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003067-A1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |