Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.33 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL6062762 | 0.90 | ITGB3 (0.36) | TPSAB1TPSD1TPSG1F2PRSS1 | |
| SCHEMBL1772783 | 0.84 | ITGB3 (0.36) | HSD11B1ITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL18711393 | 0.82 | EPHX2 (0.38) | HSD11B1GNAI3GNAO1GNAI1KDM4E | |
| SCHEMBL3720967 | 0.81 | JAK2 (0.33) | TPSAB1TPSD1TPSG1MAOBGAA | |
| Hydrochloric Acid SCHEMBL6195337 | 0.80 | JAK2 (0.32) | GAAMCL1 | |
| SCHEMBL18701705 | 0.79 | DPP4 (0.40) | HSD11B1GNAI3GNAO1GNAI1CHRM2 | |
| SCHEMBL8065249 | 0.79 | ITGB3 (0.46) | TPSAB1TPSD1TPSG1ITGB3ITGA2B | |
| SCHEMBL1515538 | 0.77 | AKR1C3 (0.42) | TPSAB1TPSD1TPSG1ITGB3ITGA2B | |
| SCHEMBL1009220 | 0.77 | CHRM2 (0.46) | TPSAB1TPSD1TPSG1F2PRSS1 | |
| SCHEMBL1774237 | 0.76 | MEN1 (0.51) | KDM4EALDH1A1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | claimed |
| WO-2010142650-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | disclosed |