Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 8/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSB | P07858 | 5/20 | 0.41 |
| ▸ | CTSV | O60911 | 2/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.40 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6589208 | 0.85 | CTSL (0.47) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL5528538 | 0.84 | CTSL (0.58) | CTSLCTSSCTSKCTSBCTSV | |
| SCHEMBL5528541 | 0.84 | CTSL (0.58) | CTSLCTSSCTSKCTSBCTSV | |
| SCHEMBL7112566 | 0.81 | CTSL (0.42) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL6020007 | 0.78 | CTSL (0.51) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL6019792 | 0.77 | FNTA (0.45) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL6021764 | 0.76 | CTSL (0.64) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL5517750 | 0.76 | CTSL (0.64) | RAB9ACTSLCTSSCTSKCTSB | |
| SCHEMBL5527527 | 0.76 | CTSL (0.58) | CTSLCTSSCTSKCTSBCTSV | |
| SCHEMBL5527529 | 0.76 | CTSL (0.58) | CTSLCTSSCTSKCTSBCTSV |
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-1212302-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019796-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |