Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 16/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.40 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13928607 | 1.00 | DRD4 (0.42) | DRD4DRD3DRD2CASP1CASP4 | |
| SCHEMBL14209701 | 1.00 | DRD4 (0.42) | DRD4DRD3DRD2CASP1CASP4 | |
| SCHEMBL13928299 | 0.89 | CASP1 (0.48) | DRD4DRD3DRD2CASP1CASP4 | |
| SCHEMBL13951070 | 0.89 | CASP1 (0.48) | DRD4DRD3DRD2CASP1CASP4 | |
| SCHEMBL3469920 | 0.86 | DRD4 (0.47) | DRD4DRD3DRD2AGER | |
| SCHEMBL3470412 | 0.85 | CASP1 (0.52) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL14209901 | 0.85 | CASP1 (0.52) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928575 | 0.85 | CASP1 (0.52) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928377 | 0.82 | CASP1 (0.49) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928296 | 0.82 | CASP1 (0.48) | CASP1CASP4CASP5CASP7CASP9 |
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-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-2261235-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-20030232986-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-18 | — | — | US | disclosed |
| US-6531474-B1 | Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock | VERTEX PHARMACEUTICALS INCORPORATED | 2003-03-11 | — | — | 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 | DRD4 4464/4885DRD3 4576/4885DRD2 4694/4885 |
| US-20030232986-A1 | Inhibitors of caspases | CASP1, APAF1, IRF3 | DRD4 4501/4885DRD3 4633/4885DRD2 4749/4885 |
“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.