Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2776964 | 1.00 | CYP3A4 (0.57) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16927225 | 0.97 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16927223 | 0.97 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL19388670 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15047947 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2195241 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15047946 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15048026 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15987133 | 0.95 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15987145 | 0.94 | CYP3A4 (0.58) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318376-B1 | BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-29 | — | — | EP | claimed |
| 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 | disclosed |
| US-20100068176-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100068176-A1 | HEPATITIS C VIRUS INHIBITORS | HAVCR2, PYGL, HCCS | CYP3A4 1107/4885CYP2C9 2585/4885NR1I2 1341/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.