Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24630697 | 0.82 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL19176707 | 0.79 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL1766240 | 0.77 | KDM4E (0.36) | KDM4EALDH1A1 | |
| SCHEMBL29214439 | 0.75 | HTT (0.34) | ALDH1A1HTT | |
| SCHEMBL23491501 | 0.74 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL6367927 | 0.73 | CYP2D6 (0.37) | HTT | |
| SCHEMBL19101444 | 0.73 | — | — | |
| SCHEMBL27668765 | 0.71 | HRH4 (0.31) | HTT | |
| SCHEMBL20063352 | 0.69 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL18842659 | 0.69 | KDM4E (0.31) | KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |