Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | IL2 | P60568 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6747703 | 0.92 | CTSL (0.40) | ITGB1ITGA4CTSLPYGLCTSB | |
| SCHEMBL6751811 | 0.89 | CTSL (0.48) | ITGB1ITGA4CTSLCTSBCTSS | |
| SCHEMBL6751687 | 0.86 | CTSB (0.43) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL6749630 | 0.84 | HPGDS (0.39) | CTSLPYGLCTSBCTSSCTSK | |
| SCHEMBL6751314 | 0.84 | CTSB (0.43) | ITGB1ITGA4LNPEPCTSLCTSB | |
| SCHEMBL6751644 | 0.83 | ESRRG (0.40) | ITGB1ITGA4LNPEPCTSLCTSK | |
| SCHEMBL6747834 | 0.83 | HPGDS (0.44) | ITGB1ITGA4CTSLPYGLCTSB | |
| SCHEMBL6752335 | 0.82 | BCL2A1 (0.39) | ITGB1ITGA4LNPEPCTSLERAP2 | |
| SCHEMBL6747773 | 0.81 | CTSL (0.43) | LNPEPCTSLCTSBCTSSCTSK | |
| SCHEMBL6753489 | 0.80 | LNPEP (0.39) | ITGB1ITGA4LNPEPCTSLERAP2 |
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 |