Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2776965 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2776969 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2777312 | 0.97 | CYP3A4 (0.51) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2777317 | 0.97 | CYP3A4 (0.51) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL14563073 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL3051187 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL3051194 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL3047409 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9 | |
| SCHEMBL3047396 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9 | |
| SCHEMBL15047947 | 0.92 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7906655-B2 | 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-15 | — | — | US | claimed |