Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420047 | 0.84 | SLC6A4 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7416936 | 0.81 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7418276 | 0.79 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7021841 | 0.76 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7416913 | 0.74 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7023360 | 0.72 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7014601 | 0.71 | EPHX1 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7021429 | 0.71 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7425515 | 0.70 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7411444 | 0.70 | EPHX1 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003529546-A | — | — | 2003-10-07 | — | — | JP | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |