Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL7420191 | 0.94 | SNCA (0.34) | SNCACTSSCTSKOPRM1RIPK1 | |
| SCHEMBL7417847 | 0.84 | OPRM1 (0.38) | OPRM1 | |
| SCHEMBL7417804 | 0.82 | CTSS (0.32) | CTSSCTSKOPRM1OPRD1 | |
| SCHEMBL7020587 | 0.81 | — | — | |
| SCHEMBL7420829 | 0.79 | SNCA (0.34) | SNCACTSSCTSKCTSB | |
| SCHEMBL7412962 | 0.78 | — | — | |
| SCHEMBL7021618 | 0.77 | SNCA (0.34) | SNCACTSSCTSKCYP2D6CTSL | |
| SCHEMBL7410959 | 0.76 | USP30 (0.30) | OPRM1 | |
| SCHEMBL7021679 | 0.76 | — | — | |
| SCHEMBL7017468 | 0.75 | — | — |
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 |