Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5500750 | 1.00 | HCRTR1 (0.42) | HCRTR1FAPCASP1KLK5POLB | |
| SCHEMBL5497777 | 0.87 | HCRTR1 (0.42) | HCRTR1FAPCASP1KLK5POLB | |
| SCHEMBL5497782 | 0.87 | HCRTR1 (0.42) | HCRTR1FAPCASP1KLK5POLB | |
| SCHEMBL5498362 | 0.79 | KCNQ1 (0.41) | KLK5KCNQ1CMA1CNR2 | |
| SCHEMBL5498366 | 0.79 | KCNQ1 (0.41) | KLK5KCNQ1CMA1CNR2 | |
| SCHEMBL5496996 | 0.78 | CTRB1 (0.52) | KLK5KDM4ECMA1 | |
| SCHEMBL5496992 | 0.78 | CTRB1 (0.52) | KLK5KDM4ECMA1 | |
| SCHEMBL1509866 | 0.76 | BCHE (0.39) | KLK5ELANECHRM2 | |
| SCHEMBL1509867 | 0.76 | BCHE (0.39) | KLK5ELANECHRM2 | |
| SCHEMBL13119300 | 0.76 | CASP1 (0.44) | HCRTR1CASP1CASP3MAPK10 |
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 1649/4885CASP1 1/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | HCRTR1 4090/4885FAP 1572/4885CASP1 1/4885 |
“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.