Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 2/20 | 0.38 |
| ▸ | RHOC | P08134 | 1/20 | 0.38 |
| ▸ | RHOA | P61586 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5494509 | 1.00 | XIAP (0.38) | XIAPRHOCRHOAF2CASP3 | |
| SCHEMBL12569589 | 0.88 | CHRNA7 (0.49) | CASP3ALDH1A1CHRNA7CYP1A2CYP2C19 | |
| SCHEMBL13119335 | 0.84 | TRPV1 (0.39) | XIAPCASP3ALDH1A1CMA1TRPV1 | |
| SCHEMBL6649319 | 0.81 | MCL1 (0.39) | XIAPCASP3ALDH1A1CMA1TRPV1 | |
| SCHEMBL6649321 | 0.81 | MCL1 (0.39) | XIAPCASP3ALDH1A1CMA1TRPV1 | |
| SCHEMBL5489938 | 0.81 | ALDH1A1 (0.47) | CASP3ALDH1A1CNR2TRPV1DGAT1 | |
| SCHEMBL5489939 | 0.81 | ALDH1A1 (0.47) | CASP3ALDH1A1CNR2TRPV1DGAT1 | |
| SCHEMBL5497356 | 0.81 | CASP3 (0.44) | CASP3CMA1CNR2 | |
| SCHEMBL5497352 | 0.81 | CASP3 (0.44) | CASP3CMA1CNR2 | |
| SCHEMBL5499721 | 0.80 | CASP3 (0.48) | CASP3CMA1CNR2 |
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 | XIAP 88/4885RHOC 3530/4885RHOA 1336/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | XIAP 114/4885RHOC 3370/4885RHOA 1286/4885 |
“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.