Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 9/20 | 0.49 |
| ▸ | MME | P08473 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL644709 | 0.84 | ACE (0.63) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL644728 | 0.84 | ACE (0.63) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL645665 | 0.84 | ACE (0.63) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL646584 | 0.74 | CASP1 (0.67) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL7087544 | 0.74 | CASP1 (0.67) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL644771 | 0.74 | CASP1 (0.67) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL10263501 | 0.74 | CASP1 (0.67) | ACEMMECASP1DDB1CRBN | |
| SCHEMBL644721 | 0.71 | ACE (0.67) | ACEMME | |
| SCHEMBL646894 | 0.71 | ACE (0.67) | ACEMME | |
| SCHEMBL1409845 | 0.70 | ACE (0.48) | ACEMMECASP1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008217-A | AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-28 | — | — | US | disclosed |