Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5323420 | 0.83 | GAA (0.58) | CTSLCTSSCTSKTSHRALDH1A1 | |
| SCHEMBL25072776 | 0.72 | GAA (0.50) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL5329438 | 0.69 | ALDH1A1 (0.50) | CTSLCTSSCTSKTSHRALDH1A1 | |
| SCHEMBL6091548 | 0.68 | GRIA4 (0.51) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL22313513 | 0.67 | CCR4 (0.34) | — | |
| SCHEMBL5330056 | 0.67 | ALDH1A1 (0.53) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL25734290 | 0.67 | KDM4E (0.56) | TSHRALDH1A1GAAPOLBGFER | |
| SCHEMBL25734183 | 0.67 | TDP1 (0.43) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL25073109 | 0.67 | SMN1; SMN2 (0.56) | TSHRTDP1GAAHTTPOLB | |
| SCHEMBL5329734 | 0.66 | CCR4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2006064286-A1 | CATHEPSIN S INHIBITORS | MEDIVIR UK LTD (GB) | 2006-06-22 | — | — | WO | disclosed |