Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3808537 | 0.94 | CACNA1G (0.34) | CHRM5TAS2R14CYP3A4CYP2D6PKM | |
| SCHEMBL4735430 | 0.91 | CACNA1G (0.35) | KDM4ELMNAGAA | |
| SCHEMBL3665443 | 0.91 | RXFP1 (0.36) | CHRM5ALDH1A1TAS2R14KDM4EPTGDR2 | |
| SCHEMBL3806319 | 0.88 | CHRM5 (0.36) | CHRM5ALDH1A1TAS2R14KDM4EMMP1 | |
| SCHEMBL4800257 | 0.87 | OPRL1 (0.36) | CYP3A4CYP2D6 | |
| SCHEMBL3665336 | 0.86 | CHRM5 (0.36) | CHRM5 | |
| SCHEMBL3667342 | 0.86 | CHRM1 (0.34) | CHRM5ALDH1A1TAS2R14KDM4ETP53 | |
| SCHEMBL4737981 | 0.84 | CACNA1G (0.33) | CHRM5CYP3A4CYP2D6 | |
| SCHEMBL3669383 | 0.81 | CYP3A4 (0.37) | ALDH1A1CYP3A4CYP2D6PKMCCR5 | |
| SCHEMBL3665332 | 0.81 | POLB (0.35) | CHRM5ALDH1A1 |
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 |