Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3497714 | 1.00 | ALDH1A1 (0.31) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL733236 | 1.00 | ALDH1A1 (0.31) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL3495039 | 1.00 | ALDH1A1 (0.31) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL733235 | 1.00 | ALDH1A1 (0.31) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL3493952 | 0.99 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL3497812 | 0.99 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL730835 | 0.99 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL730834 | 0.99 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL13091250 | 0.97 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 | |
| SCHEMBL3495045 | 0.97 | ALDH1A1 (0.33) | ALDH1A1NPSR1CASP1 |
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-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2015-09-24 | — | — | US | disclosed |
| WO-2008057209-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | 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-20150266897-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | ALDH1A1 1199/4885NPSR1 4083/4885CASP1 179/4885 |
“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.