Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 3/20 | 0.30 |
| ▸ | CTSL | P07711 | 2/20 | 0.30 |
| ▸ | CTSB | P07858 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062764 | 0.76 | KMT2A (0.44) | ALDH1A1KMT2AMEN1CYP2D6CTSS | |
| SCHEMBL6061996 | 0.74 | CTSS (0.40) | ALDH1A1KCNH2KMT2AMEN1CYP2D6 | |
| SCHEMBL6630648 | 0.70 | KMT2A (0.65) | ALDH1A1SLC6A2SLC6A4KCNH2KMT2A | |
| SCHEMBL6061946 | 0.68 | ALDH1A1 (0.39) | ALDH1A1SLC6A2SLC6A4KCNH2KMT2A | |
| SCHEMBL6062452 | 0.66 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1CYP2D6 | |
| SCHEMBL5418267 | 0.65 | CTSS (0.43) | KMT2ACTSSCTSLCTSB | |
| SCHEMBL14426917 | 0.64 | TNF (0.40) | ALDH1A1SLC6A2SLC6A4KCNH2KMT2A | |
| SCHEMBL6651832 | 0.64 | CTSS (0.40) | KMT2ACTSSCTSLCTSB | |
| SCHEMBL6629347 | 0.64 | CTSS (0.40) | KMT2ACTSSCTSLCTSB | |
| SCHEMBL6062653 | 0.64 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | claimed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |
| EP-1694357-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |