Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 9/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 9/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846513 | 0.84 | CHRM4 (0.54) | CHRM4 | |
| SCHEMBL3849787 | 0.84 | CHRM4 (0.58) | CHRM4HTTALDH1A1NPSR1PDGFRB | |
| Hydrochloric Acid SCHEMBL3846061 | 0.82 | CHRM4 (0.52) | CHRM4ALDH1A1ENPP1PDE3BPDE3A | |
| Hydrochloric Acid SCHEMBL3856292 | 0.80 | CHRM4 (0.50) | CHRM4ALDH1A1ENPP1PDE3BPDE3A | |
| SCHEMBL3856238 | 0.79 | HTT (0.60) | HTTALDH1A1NPSR1ENPP1PDGFRB | |
| SCHEMBL3849227 | 0.77 | CHRM4 (0.46) | CHRM4ALDH1A1ENPP1PDE3BPDE3A | |
| SCHEMBL3846080 | 0.76 | HTT (0.58) | HTTALDH1A1NPSR1ENPP1PDGFRB | |
| SCHEMBL3846541 | 0.76 | CHRM4 (0.45) | CHRM4ALDH1A1ENPP1PDE3BPDE3A | |
| SCHEMBL3846341 | 0.75 | HTT (0.52) | CHRM4HTTALDH1A1NPSR1PDGFRB | |
| SCHEMBL3852113 | 0.74 | HTT (0.58) | CHRM4HTTALDH1A1NPSR1ENPP1 |
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-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 |