Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | BMP1 | P13497 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3671643 | 0.88 | CHRM5 (0.39) | CHRM5KDM4EALDH1A1TAS2R14CYP3A4 | |
| SCHEMBL3808537 | 0.83 | CACNA1G (0.34) | CHRM5TAS2R14CYP3A4CYP2D6 | |
| SCHEMBL3724780 | 0.82 | TAS2R14 (0.44) | CHRM5BMP1TSHRMAPK1CXCR3 | |
| SCHEMBL3665336 | 0.82 | CHRM5 (0.36) | CHRM5TSHR | |
| SCHEMBL4737981 | 0.80 | CACNA1G (0.33) | CHRM5CYP3A4CYP2D6CNR1CNR2 | |
| SCHEMBL3665443 | 0.79 | RXFP1 (0.36) | CHRM5KDM4EALDH1A1TAS2R14ACHE | |
| SCHEMBL4735430 | 0.79 | CACNA1G (0.35) | KDM4E | |
| SCHEMBL3808654 | 0.77 | OPRM1 (0.41) | MAPK1ALDH1A1TAS2R14CYP3A4CYP2D6 | |
| SCHEMBL4783965 | 0.77 | CHRM2 (0.44) | MEN1KMT2A | |
| SCHEMBL4800257 | 0.76 | OPRL1 (0.36) | CYP3A4CYP2D6 |
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 3 patents. 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 |
| 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 |