Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP4 | P49662 | 1/20 | 0.53 |
| ▸ | CASP5 | P51878 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | CASP9 | P55211 | 1/20 | 0.53 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.53 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.53 |
| ▸ | PREP | P48147 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 6/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.44 |
| ▸ | ELANE | P08246 | 4/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3470105 | 0.90 | CASP1 (0.53) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL3699919 | 0.87 | CASP1 (0.68) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL20298320 | 0.87 | CASP1 (0.68) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL478382 | 0.87 | CASP1 (0.68) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL3058685 | 0.87 | CASP1 (0.68) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL3469989 | 0.87 | CASP1 (0.55) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL3470102 | 0.87 | CASP1 (0.50) | TAAR1CASP1CASP4CASP5CASP7 | |
| SCHEMBL18586544 | 0.85 | CCR1 (0.57) | TAAR1PREPCCR1ACEACE2 | |
| SCHEMBL22798260 | 0.85 | CCR1 (0.57) | TAAR1PREPCCR1ACEACE2 | |
| SCHEMBL3469978 | 0.84 | CASP1 (0.66) | TAAR1CASP1CASP4CASP5CASP7 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8691848-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-08 | — | — | US | disclosed |
| EP-2261235-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261232-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261234-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261233-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| US-20090048226-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| EP-2011800-A2 | Inhibitors of caspase | Vertex Pharmaceuticals Incorporated (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1064298-B1 | INHIBITORS OF CASPASES | VERTEX PHARMA (US) | 2008-10-08 | — | — | EP | disclosed |
| US-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-20030232986-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-18 | — | — | US | disclosed |
| EP-1064298-A2 | INHIBITORS OF CASPASES | Vertex Pharmaceuticals Incorporated (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999047545-A2 | INHIBITORS OF CASPASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-09-23 | — | — | 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 (2 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 | TAAR1 4865/4885CASP1 1/4885CASP4 15/4885 |
| US-20030232986-A1 | Inhibitors of caspases | CASP1, APAF1, IRF3 | TAAR1 4870/4885CASP1 1/4885CASP4 11/4885 |
“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.