Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13985629 | 0.84 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL13985723 | 0.84 | CYP3A4 (0.48) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL3635264 | 0.83 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL3752377 | 0.83 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL13985781 | 0.83 | DRD2 (0.42) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL3633292 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL3745839 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL13980436 | 0.82 | CACNA1G (0.40) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL13985721 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2CACNA1GCACNA1HCHRM5 | |
| SCHEMBL13985802 | 0.80 | OPRL1 (0.48) | CACNA1GCACNA1HCHRM4CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |