Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14562633 | 0.93 | CYP3A4 (0.38) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL1244279 | 0.93 | CYP3A4 (0.37) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL12854575 | 0.90 | CYP3A4 (0.35) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL733229 | 0.89 | CYP3A4 (0.39) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL731547 | 0.87 | CYP3A4 (0.39) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL14562561 | 0.85 | CYP3A4 (0.38) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL3624949 | 0.83 | CYP3A4 (0.40) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL1243489 | 0.82 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL16385881 | 0.81 | ELANE (0.35) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL8249327 | 0.81 | CYP3A4 (0.43) | CYP3A4ELANECTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-8278322-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20110028494-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| WO-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | 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-20110028494-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | CYP3A4 154/4885ELANE 435/4885KCNH2 4405/4885 |
“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.