Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | HTR3A | P46098 | 2/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | AURKA | O14965 | 3/20 | 0.31 |
| ▸ | FLT3 | P36888 | 3/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.31 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16636475 | 0.83 | CTSK (0.54) | CTSKKDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL16636476 | 0.83 | CTSK (0.47) | CTSKKDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL16637829 | 0.76 | SLC6A2 (0.40) | CTSKALDH1A1SLC6A2SLC6A4SMN1; SMN2 | |
| SCHEMBL16636350 | 0.74 | SLC6A2 (0.45) | CTSKKDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL16636352 | 0.74 | SLC6A2 (0.45) | CTSKKDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL16635996 | 0.72 | CTSK (0.47) | CTSKKDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL16635997 | 0.72 | CTSK (0.54) | CTSKKDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL16635685 | 0.72 | CTSK (0.54) | CTSKKDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL16635684 | 0.72 | CTSK (0.47) | CTSKKDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL16637266 | 0.70 | CTSK (0.35) | CTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |