Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13829065 | 1.00 | CXCR2 (0.39) | CXCR2CXCR1CTSLIDO1TDO2 | |
| SCHEMBL13829003 | 0.85 | HCAR2 (0.39) | CXCR2CXCR1ALDH1A1CA1CA2 | |
| SCHEMBL28419506 | 0.85 | HCAR2 (0.39) | CXCR2CXCR1ALDH1A1CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL28355285 | 0.84 | HCAR2 (0.38) | CXCR2CXCR1ALDH1A1CA1CA2 | |
| SCHEMBL21831821 | 0.81 | IDO1 (0.45) | CXCR2CXCR1IDO1TDO2MEN1 | |
| SCHEMBL3923775 | 0.79 | ALDH1A1 (0.39) | IDO1TDO2ALDH1A1CA1CA2 | |
| SCHEMBL1272882 | 0.79 | IDO1 (0.34) | CXCR2CXCR1IDO1TDO2 | |
| SCHEMBL12800457 | 0.79 | IDO1 (0.34) | CXCR2CXCR1IDO1TDO2 | |
| SCHEMBL2100565 | 0.79 | IDO1 (0.34) | CXCR2CXCR1IDO1TDO2 | |
| SCHEMBL3892075 | 0.78 | HTT (0.37) | IDO1TDO2ALDH1A1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2511257-A2 | Alpha ketoamide compounds as cysteine protease inhibitors | ViroBay, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2006102243-A2 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | APPLERA CORPORATION (US) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006060810-A1 | SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |