Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 8/20 | 0.34 |
| ▸ | TP53 | P04637 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL473165 | 1.00 | ELANE (0.37) | ELANEMDM2TP53ALDH1A1HSD17B10 | |
| SCHEMBL487236 | 0.85 | ITGA4 (0.40) | ALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL487235 | 0.85 | ITGA4 (0.40) | ALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL14423544 | 0.82 | ELANE (0.39) | ELANEHSP90AA1HSP90AB1AAK1PTGS2 | |
| SCHEMBL952144 | 0.80 | PTGS2 (0.40) | ELANEHSD17B10L3MBTL1PTGS2 | |
| SCHEMBL27654221 | 0.80 | PTGS2 (0.40) | ELANEHSD17B10L3MBTL1PTGS2 | |
| SCHEMBL473120 | 0.80 | ELANE (0.44) | ELANE | |
| SCHEMBL473119 | 0.80 | ELANE (0.44) | ELANE | |
| SCHEMBL12567752 | 0.79 | ELANE (0.48) | ELANEALDH1A1 | |
| SCHEMBL8267206 | 0.74 | CYP24A1 (0.35) | ALDH1A1HSD17B10L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2412707-A2 | 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |
| WO-2010120880-A1 | TREATMENT OF LIVER DISEASES WITH A CASPASE INHIBITOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-21 | — | — | WO | disclosed |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-09 | — | — | US | disclosed |
| EP-1631549-A2 | 3-[2-(3-AMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004106304-A2 | 3 - [2- (3-AMINO-2-OXO-2H-PYRIDIN-1-YL) - ACETYLAMINO] - 4- OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-09 | — | — | WO | disclosed |
| US-20040242494-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-12-02 | — | — | US | 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-20040242494-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | ELANE 583/4885MDM2 2068/4885TP53 675/4885 |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | ELANE 308/4885MDM2 1383/4885TP53 434/4885 |
“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.