Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 6/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL473120 | 0.89 | ELANE (0.44) | ELANECTSLCASP1CASP3CASP7 | |
| SCHEMBL473119 | 0.89 | ELANE (0.44) | ELANECTSLCASP1CASP3CASP7 | |
| SCHEMBL473208 | 0.87 | ELANE (0.51) | ELANECTSLCASP1CASP3CASP7 | |
| SCHEMBL473210 | 0.87 | ELANE (0.51) | ELANECTSLCASP1CASP3CASP7 | |
| SCHEMBL12567736 | 0.84 | KDM4E (0.48) | ELANEKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL12567742 | 0.84 | KDM4E (0.48) | ELANEKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL29866059 | 0.82 | ELANE (0.49) | ELANEKDM4EALDH1A1HPGDCTSL | |
| SCHEMBL25118202 | 0.80 | ELANE (0.49) | ELANEKDM4EALDH1A1HPGDCTSL | |
| SCHEMBL473165 | 0.79 | ELANE (0.37) | ELANEALDH1A1 | |
| SCHEMBL473167 | 0.79 | ELANE (0.37) | ELANEALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |