Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 11/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 11/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 10/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845658 | 0.84 | CHRM4 (0.56) | CHRM4HTTALDH1A1NPSR1PDE3B | |
| SCHEMBL3847011 | 0.83 | CHRM4 (0.56) | CHRM4PDE3BPDE3APDE10AIRAK4 | |
| SCHEMBL3846341 | 0.77 | HTT (0.52) | CHRM4HTTALDH1A1NPSR1PDE3B | |
| SCHEMBL3852113 | 0.75 | HTT (0.58) | CHRM4HTTALDH1A1NPSR1PDE3B | |
| SCHEMBL3846425 | 0.73 | CHRM4 (0.51) | CHRM4PDE3BPDE3APDE10AIRAK4 | |
| SCHEMBL22715242 | 0.73 | HTT (0.76) | HTTALDH1A1NPSR1PDGFRB | |
| SCHEMBL29472072 | 0.73 | HTT (0.76) | HTTALDH1A1NPSR1PDGFRB | |
| SCHEMBL4349956 | 0.72 | HTT (1.00) | HTTALDH1A1NPSR1 | |
| SCHEMBL3115181 | 0.71 | HTT (0.74) | HTTALDH1A1NPSR1PDGFRB | |
| SCHEMBL3847712 | 0.71 | HTT (0.61) | HTTALDH1A1NPSR1PDE3APDE10A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |