Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.65 |
| ▸ | CTSB | P07858 | 9/20 | 0.39 |
| ▸ | CTSS | P25774 | 8/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617923 | 0.91 | CTSK (0.68) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16618116 | 0.90 | CTSK (0.63) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617645 | 0.90 | CTSK (0.81) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16638083 | 0.90 | CTSK (0.81) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617818 | 0.89 | CTSK (0.66) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617846 | 0.89 | CTSK (0.68) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617563 | 0.89 | CTSK (0.68) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617647 | 0.88 | CTSK (0.66) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617579 | 0.88 | CTSK (0.68) | CTSKCTSBCTSSCTSLKCNH2 | |
| SCHEMBL16617411 | 0.87 | CTSK (0.62) | CTSKCTSBCTSSCTSLKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9458181-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-04-09 | — | — | 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-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | CTSK 4/4885CTSB 1/4885CTSS 2/4885 |
“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.