Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28162195 | 0.81 | — | — | |
| SCHEMBL23508945 | 0.74 | NCF1 (0.37) | NCF1HRH3 | |
| SCHEMBL6655587 | 0.73 | NCF1 (0.38) | NCF1HRH3GNAI3GNAO1GNAI1 | |
| SCHEMBL12561520 | 0.73 | NCF1 (0.34) | NCF1HRH3GNAI3GNAO1GNAI1 | |
| SCHEMBL8744450 | 0.73 | EPHX1 (0.52) | NCF1GNAI3GNAO1GNAI1 | |
| SCHEMBL15295105 | 0.71 | HRH3 (0.33) | NCF1HRH3 | |
| SCHEMBL22455209 | 0.71 | NCF1 (0.48) | NCF1GNAI3GNAO1GNAI1 | |
| SCHEMBL3523062 | 0.71 | NCF1 (0.48) | NCF1GNAI3GNAO1GNAI1 | |
| SCHEMBL4596098 | 0.69 | TP53 (0.56) | NCF1HRH3GNAI3GNAO1GNAI1 | |
| SCHEMBL8187843 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6936606-B2 | Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-08-30 | — | — | US | disclosed |
| EP-1434769-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003029200-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | WO | disclosed |