Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3723412 | 0.79 | OPRM1 (0.52) | CALCRLOPRM1PLD1CYP3A4KDM4E | |
| SCHEMBL3725056 | 0.78 | HSD11B1 (0.42) | BCHEACHEOPRM1PLD1CYP3A4 | |
| SCHEMBL4799701 | 0.77 | BCHE (0.36) | CALCRLBCHEACHEOPRM1PLD1 | |
| SCHEMBL4783181 | 0.77 | CHRM1 (0.44) | CALCRLBCHEACHEOPRM1KDM4E | |
| SCHEMBL4784868 | 0.76 | PLD2 (0.42) | CALCRLBCHEACHEOPRM1PLD1 | |
| SCHEMBL3403017 | 0.76 | OPRM1 (0.50) | BCHEACHEOPRM1PLD1KDM4E | |
| SCHEMBL1835272 | 0.76 | OPRM1 (0.50) | BCHEACHEOPRM1PLD1KDM4E | |
| SCHEMBL1837752 | 0.75 | TNKS (0.51) | CALCRLBCHEACHEOPRM1KDM4E | |
| SCHEMBL3728528 | 0.75 | ALDH1A1 (0.41) | CALCRLBCHEACHEOPRM1KDM4E | |
| SCHEMBL1838677 | 0.74 | OPRM1 (0.46) | CALCRLBCHEACHEOPRM1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | disclosed |