Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 16/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1410176 | 0.87 | ADRB2 (0.47) | ADRB2ADRB1ADRB3CASP1ALDH1A1 | |
| SCHEMBL646188 | 0.81 | CASP1 (0.44) | CASP1 | |
| SCHEMBL646998 | 0.81 | CASP1 (0.53) | ADRB2ADRB1ADRB3CASP1ALDH1A1 | |
| SCHEMBL10201585 | 0.76 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CASP1ALDH1A1 | |
| SCHEMBL647269 | 0.76 | CASP1 (0.48) | ADRB2ADRB1ADRB3CASP1 | |
| SCHEMBL2787842 | 0.76 | CYP3A4 (0.54) | ADRB2ADRB1ADRB3ALDH1A1NPC1 | |
| SCHEMBL10918370 | 0.74 | CYP3A4 (0.53) | ADRB2ADRB1ADRB3ALDH1A1NPC1 | |
| SCHEMBL645196 | 0.72 | CASP1 (0.45) | CASP1 | |
| Benzene SCHEMBL29140663 | 0.69 | CYP3A4 (0.59) | ADRB2ADRB1ADRB3ALDH1A1NPC1 | |
| SCHEMBL311041 | 0.69 | KLK5 (0.36) | ADRB2ADRB1ADRB3CASP1ALDH1A1 |
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-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |