Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 3/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DAGLA | Q9Y4D2 | 3/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | EPOR | P19235 | 1/20 | 0.31 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.30 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL7414438 | 0.92 | PTGES (0.36) | PTGESEPOR | |
| SCHEMBL6371523 | 0.91 | SNCA (0.33) | — | |
| SCHEMBL7422302 | 0.87 | SLC6A2 (0.35) | — | |
| SCHEMBL7420829 | 0.85 | SNCA (0.34) | — | |
| SCHEMBL7014387 | 0.84 | SNCA (0.33) | TSHR | |
| SCHEMBL7411437 | 0.84 | CTSB (0.31) | — | |
| SCHEMBL7416244 | 0.83 | GPR132 (0.31) | — | |
| SCHEMBL7419503 | 0.82 | HSD11B1 (0.32) | — | |
| SCHEMBL7416951 | 0.82 | — | — | |
| SCHEMBL7573990 | 0.81 | — | — |
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 |