Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 4/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 4/20 | 0.49 |
| ▸ | CTSL | P07711 | 3/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7334484 | 0.88 | PREP (0.72) | PREPACEELANEALDH1A1CYP3A4 | |
| SCHEMBL22209468 | 0.88 | PREP (0.72) | PREPACEELANEALDH1A1CYP3A4 | |
| SCHEMBL7871516 | 0.88 | PREP (0.72) | PREPACEELANEALDH1A1CYP3A4 | |
| SCHEMBL10607793 | 0.87 | PREP (0.71) | PREPCYP1A2ACEELANEALDH1A1 | |
| SCHEMBL16000756 | 0.87 | PREP (0.71) | PREPCYP1A2ACEELANEALDH1A1 | |
| SCHEMBL10607790 | 0.87 | PREP (0.71) | PREPCYP1A2ACEELANEALDH1A1 | |
| SCHEMBL22209424 | 0.86 | PREP (0.70) | PREPCYP1A2ACEELANEALDH1A1 | |
| SCHEMBL11517511 | 0.86 | PREP (0.70) | PREPACEELANEALDH1A1CYP3A4 | |
| SCHEMBL11442704 | 0.86 | PREP (0.73) | PREPCYP1A2ACEELANEALDH1A1 | |
| SCHEMBL8198229 | 0.86 | PREP (0.70) | PREPCYP1A2ACEELANEALDH1A1 |
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-20090048226-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| US-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | 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-20090048226-A1 | Inhibitors of caspases | CASP1, APAF1, IRF3 | PREP 203/4885CYP1A2 2864/4885ACE 344/4885 |
“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.