Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 3/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.40 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.30 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | TACR3 | P29371 | 1/20 | 0.30 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4681520 | 0.90 | CHRM5 (0.38) | CACNA1GCACNA1HCHRM5ALDH1A1FKBP1A | |
| SCHEMBL4732301 | 0.87 | PKM (0.36) | CACNA1GCACNA1HCHRM5ALDH1A1PKM | |
| SCHEMBL1832947 | 0.86 | CACNA1G (0.38) | CACNA1GCACNA1HTNKSPARP2PARP1 | |
| SCHEMBL1838526 | 0.85 | KDM4E (0.43) | TNKSPARP2PARP1HSD11B1CHRM5 | |
| SCHEMBL1838951 | 0.81 | BCHE (0.41) | TNKSPARP2PARP1HSD11B1CHRM5 | |
| SCHEMBL1837775 | 0.78 | TNKS (0.44) | CACNA1GCACNA1HTNKSPARP2PARP1 | |
| SCHEMBL4736833 | 0.77 | CACNA1G (0.44) | CACNA1GCACNA1HCYP3A4CYP2D6TACR1 | |
| SCHEMBL1838770 | 0.77 | OPRM1 (0.46) | TNKSPARP2PARP1CYP3A4HSD11B1 | |
| SCHEMBL1841721 | 0.77 | OPRM1 (0.46) | TNKSPARP2PARP1CYP3A4HSD11B1 | |
| SCHEMBL3721849 | 0.76 | CACNA1G (0.42) | CACNA1GCACNA1HCYP3A4KDM4EALDH1A1 |
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 | claimed |