Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5398975 | 0.81 | FPR2 (0.43) | EPHX1CTSSFPR2ACHEPOLB | |
| SCHEMBL6685718 | 0.73 | TDP1 (0.48) | EPHX1CTSSCTSLCTSKPOLB | |
| SCHEMBL5500897 | 0.71 | EPHX1 (0.42) | EPHX1CTSSCTSLCTSKFPR2 | |
| SCHEMBL6688714 | 0.71 | POLB (0.47) | EPHX1POLBL3MBTL1HDAC3HDAC4 | |
| SCHEMBL9422891 | 0.71 | ACHE (0.61) | ACHEPOLBMAPTPLA2G1BSMN1; SMN2 | |
| SCHEMBL9422846 | 0.71 | FPR2 (0.46) | EPHX1CTSSFPR2ACHEPOLB | |
| SCHEMBL6688710 | 0.69 | POLB (0.43) | EPHX1POLBL3MBTL1HDAC3HDAC4 | |
| SCHEMBL6688737 | 0.69 | CTSS (0.47) | CTSSCTSLCTSKL3MBTL1SCN9A | |
| SCHEMBL6688734 | 0.69 | CTSS (0.57) | CTSSCTSLCTSK | |
| SCHEMBL3024781 | 0.68 | CTSS (0.67) | CTSSCTSLCTSKACE |
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-1658267-A4 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-08-01 | — | — | EP | disclosed |
| EP-1658267-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005034848-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-04-21 | — | — | WO | disclosed |