Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | DRD3 | P35462 | 5/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5240261 | 0.85 | KCNH2 (0.53) | KCNH2POLBDRD2DRD3DRD1 | |
| SCHEMBL5238080 | 0.85 | CACNA1B (0.38) | DRD2DRD3DRD1HRH3HTR1A | |
| SCHEMBL5235271 | 0.83 | CCR1 (0.34) | KCNH2DRD1HTR1ASIGMAR1HTR2A | |
| SCHEMBL5241348 | 0.80 | CACNA1B (0.49) | DRD2DRD3HTR1ASIGMAR1HTR2A | |
| SCHEMBL5232512 | 0.80 | CCR1 (0.39) | POLBHRH3ALDH1A1SIGMAR1HRH1 | |
| SCHEMBL14432577 | 0.80 | RAB9A (0.43) | DRD2DRD3HTR1AALDH1A1DRD4 | |
| SCHEMBL14431909 | 0.79 | CACNA1B (0.36) | DRD2DRD3DRD1HTR1AHTR2A | |
| SCHEMBL5239224 | 0.79 | CACNA1B (0.36) | DRD2DRD3DRD1HTR1AHTR2A | |
| SCHEMBL5239226 | 0.79 | CACNA1B (0.36) | DRD2DRD3DRD1HTR1AHTR2A | |
| SCHEMBL5240627 | 0.78 | KMT2A (0.43) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1818326-A1 | Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds | Eisai R&D Management Co., Ltd. (JP) | 2007-08-15 | — | — | EP | disclosed |
| US-6906072-B1 | Piperazine compound and pharmaceutical composition containing the compound | EISAI CO., LTD. (JP) | 2005-06-14 | — | — | US | disclosed |