Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.49 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5142094 | 0.90 | CCR5 (0.52) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL13714450 | 0.90 | CCR5 (0.52) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL4130344 | 0.88 | CCR5 (0.54) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL14420637 | 0.88 | CCR5 (0.54) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL14218307 | 0.88 | ITGB3 (0.60) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL3882540 | 0.88 | ITGB3 (0.60) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL14416420 | 0.87 | CCR5 (0.53) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL1573757 | 0.86 | RECQL (0.59) | CCR5KCNH2ITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL1573959 | 0.86 | RECQL (0.59) | CCR5KCNH2ITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL22904305 | 0.84 | KCNQ3 (0.65) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 |
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-2014173375-A1 | A PROCESS FOR THE SYNTHESIS OF MARAVIROC | ZENTIVA, K.S. (CZ) | 2014-10-30 | — | — | WO | disclosed |