Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6747691 | 0.82 | NPC1 (0.35) | CAPN1CTSLCTSSCTSKALDH1A1 | |
| SCHEMBL6560207 | 0.69 | GRM7 (0.37) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6557583 | 0.68 | SLC1A3 (0.37) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7551628 | 0.67 | CTSS (0.49) | CTSLCTSSCTSK | |
| SCHEMBL6559792 | 0.65 | USP2 (0.39) | ALDH1A1F2PRSS1 | |
| SCHEMBL6557913 | 0.64 | GBA1 (0.39) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6558896 | 0.63 | CYP3A4 (0.37) | ALDH1A1ITGB1ITGA4F2PRSS1 | |
| SCHEMBL6557623 | 0.62 | KMT2A (0.38) | CTSLALDH1A1F2PRSS1PRSS2 | |
| SCHEMBL6062861 | 0.61 | PRSS1 (0.49) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7256952 | 0.61 | PRSS1 (0.49) | ALDH1A1F2PRSS1PRSS2PRSS3 |
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-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |