Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7837060 | 0.88 | OPRD1 (0.38) | OPRD1ALDH1A1KMT2AMAPTGAA | |
| SCHEMBL7829462 | 0.85 | DRD2 (0.47) | ALDH1A1DRD2DRD4DRD3L3MBTL1 | |
| SCHEMBL7841533 | 0.84 | GSK3B (0.43) | OPRD1ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL7839123 | 0.81 | HTR1A (0.42) | DRD2DRD4DRD3 | |
| SCHEMBL7839816 | 0.76 | ADRA1D (0.49) | DRD2DRD4DRD3 | |
| SCHEMBL7840038 | 0.74 | PTK2 (0.46) | ALDH1A1MAPTGAADRD2DRD4 | |
| SCHEMBL7838166 | 0.73 | DRD2 (0.49) | ALDH1A1DRD2DRD4DRD3GSK3B | |
| SCHEMBL7840554 | 0.70 | GSK3B (0.46) | OPRD1DRD2DRD4DRD3GSK3B | |
| SCHEMBL7842760 | 0.69 | HTR7 (0.48) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7844493 | 0.68 | DRD2 (0.52) | DRD2DRD4DRD3GSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |