Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 11/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497777 | 1.00 | HCRTR1 (0.42) | HCRTR1FAPCMA1CASP1POLB | |
| SCHEMBL3579097 | 0.88 | CASP1 (0.44) | HCRTR1CASP1 | |
| SCHEMBL13119300 | 0.88 | CASP1 (0.44) | HCRTR1CASP1 | |
| SCHEMBL5500752 | 0.87 | HCRTR1 (0.42) | HCRTR1FAPCMA1CASP1POLB | |
| SCHEMBL5500750 | 0.87 | HCRTR1 (0.42) | HCRTR1FAPCMA1CASP1POLB | |
| SCHEMBL5496918 | 0.79 | PIN1 (0.41) | CMA1ACEKCNQ1 | |
| SCHEMBL5496923 | 0.79 | PIN1 (0.41) | CMA1ACEKCNQ1 | |
| SCHEMBL7167015 | 0.78 | CTRB1 (0.53) | CMA1KDM4E | |
| SCHEMBL7167010 | 0.78 | CTRB1 (0.53) | CMA1KDM4E | |
| SCHEMBL1509753 | 0.76 | BCHE (0.39) | CMA1ACE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | HCRTR1 4092/4885FAP 1649/4885CMA1 201/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | HCRTR1 4090/4885FAP 1572/4885CMA1 228/4885 |
“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.