Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 7/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRN | P28799 | 1/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.41 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | CCKBR | P32239 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5924862 | 0.90 | CTSB (0.47) | CTSBPDK1PDK2PDK3PDK4 | |
| SCHEMBL5924835 | 0.90 | CTSB (0.47) | CTSBPDK1PDK2PDK3PDK4 | |
| SCHEMBL5529192 | 0.84 | HPGD (0.56) | CTSBMEN1HTTKMT2ASMN1; SMN2 | |
| SCHEMBL5924629 | 0.80 | CTSB (0.54) | CTSBCTSSCTSKCTSLCTSV | |
| SCHEMBL5924662 | 0.79 | CTSB (0.60) | CTSBGRNSORT1CTSSCTSK | |
| SCHEMBL5924665 | 0.79 | CTSB (0.60) | CTSBGRNSORT1CTSSCTSK | |
| SCHEMBL5924632 | 0.79 | CTSB (0.57) | CTSBGRNSORT1CTSSCTSK | |
| SCHEMBL5527592 | 0.78 | CTSL (0.50) | CTSBMEN1HTTKMT2ASMN1; SMN2 | |
| SCHEMBL5924741 | 0.78 | CTSB (0.56) | CTSBMEN1KMT2ACTSSCTSK | |
| SCHEMBL5924771 | 0.76 | CTSB (0.53) | CTSBGRNSORT1CTSSCTSK |
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-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |