Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 8/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13119300 | 1.00 | CASP1 (0.44) | CASP1HCRTR1CASP3ITGB3ITGA2B | |
| SCHEMBL5497777 | 0.88 | HCRTR1 (0.42) | CASP1HCRTR1 | |
| SCHEMBL5497782 | 0.88 | HCRTR1 (0.42) | CASP1HCRTR1 | |
| SCHEMBL5496287 | 0.83 | CASP3 (0.44) | CASP3ITGB3ITGA2BMAPK10 | |
| SCHEMBL5496284 | 0.83 | CASP3 (0.44) | CASP3ITGB3ITGA2BMAPK10 | |
| SCHEMBL5499721 | 0.82 | CASP3 (0.48) | CASP3ITGB3ITGA2B | |
| SCHEMBL5499724 | 0.82 | CASP3 (0.48) | CASP3ITGB3ITGA2B | |
| SCHEMBL8357170 | 0.81 | NTMT1 (0.56) | CASP1CASP3NTMT1TACR1 | |
| SCHEMBL14598398 | 0.80 | PREP (0.49) | CASP1CASP3NTMT1 | |
| SCHEMBL8278176 | 0.78 | CASP3 (0.45) | CASP3TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| EP-1381602-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-01-21 | — | — | EP | disclosed |
| US-20030096737-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | US | disclosed |
| WO-2002085899-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-31 | — | — | 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-20030096737-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, CASP5 | CASP1 1/4885HCRTR1 4092/4885CASP3 9/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | CASP1 1/4885HCRTR1 4090/4885CASP3 8/4885 |
“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.