Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 3/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4731396 | 0.88 | KCNH2 (0.40) | ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL4737473 | 0.84 | ITGB3 (0.35) | TNKSPARP2PARP1ALDH1A1 | |
| SCHEMBL1837014 | 0.83 | CALCRL (0.48) | TNKSPARP2PARP1CALCRLOPRM1 | |
| SCHEMBL1835272 | 0.82 | OPRM1 (0.50) | ALDH1A1MAPK1OPRM1OPRK1OPRL1 | |
| SCHEMBL3403017 | 0.82 | OPRM1 (0.50) | ALDH1A1MAPK1OPRM1OPRK1OPRL1 | |
| SCHEMBL3666703 | 0.82 | OPRM1 (0.51) | ALDH1A1MAPK1OPRM1OPRK1OPRL1 | |
| SCHEMBL1837876 | 0.82 | OPRM1 (0.50) | CALCRLALDH1A1MAPK1OPRM1OPRK1 | |
| SCHEMBL1836672 | 0.82 | OPRM1 (0.44) | TNKSPARP2PARP1CALCRLALDH1A1 | |
| SCHEMBL1837901 | 0.82 | CHRM1 (0.49) | ALDH1A1MAPK1OPRM1OPRK1OPRL1 | |
| SCHEMBL1838677 | 0.82 | OPRM1 (0.46) | TNKSPARP2PARP1CALCRLALDH1A1 |
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 |