Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
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 SCHEMBL8039750 | 0.99 | DRD2 (0.54) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7838517 | 0.98 | DRD2 (0.57) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7844493 | 0.95 | DRD2 (0.52) | DRD2DRD3DRD4HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL8041535 | 0.94 | DRD2 (0.51) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7838166 | 0.91 | DRD2 (0.49) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7838368 | 0.90 | HTR1A (0.55) | DRD2DRD3DRD4HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL8043712 | 0.89 | HTR1A (0.55) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7839766 | 0.86 | ADRA1B (0.54) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7840083 | 0.85 | GSK3B (0.50) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7840554 | 0.85 | GSK3B (0.46) | DRD2DRD3DRD4HTR1AADRA1D |
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 6 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 |
| EP-0839144-A1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | claimed |
| WO-1997003067-A1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | 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 |