Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4674544 | 0.87 | HTR4 (0.36) | HSD11B1CACNA1GCACNA1HOPRL1OPRM1 | |
| SCHEMBL4674540 | 0.87 | HTR4 (0.36) | HSD11B1CACNA1GCACNA1HOPRL1OPRM1 | |
| SCHEMBL4681962 | 0.85 | OPRL1 (0.46) | CACNA1GCACNA1HOPRL1OPRM1C5AR1 | |
| SCHEMBL4681961 | 0.85 | OPRL1 (0.46) | CACNA1GCACNA1HOPRL1OPRM1C5AR1 | |
| SCHEMBL4676172 | 0.83 | HSD11B1 (0.46) | HSD11B1TNKSPARP1PARP2CHRM1 | |
| SCHEMBL4677810 | 0.83 | OPRM1 (0.50) | HSD11B1OPRL1OPRM1CHRM2CHRM1 | |
| SCHEMBL4677814 | 0.83 | OPRM1 (0.50) | HSD11B1OPRL1OPRM1CHRM2CHRM1 | |
| SCHEMBL4676169 | 0.83 | HSD11B1 (0.46) | HSD11B1TNKSPARP1PARP2CHRM1 | |
| SCHEMBL4804476 | 0.83 | CACNA1G (0.43) | CYP3A4CACNA1GCACNA1HOPRL1OPRM1 | |
| SCHEMBL4804471 | 0.83 | CACNA1G (0.43) | CYP3A4CACNA1GCACNA1HOPRL1OPRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1997805-A1 | Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans | Commissariat à l'Energie Atomique (FR) | 2008-12-03 | — | — | EP | disclosed |