Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.36 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985207 | 0.85 | CTSK (0.46) | TACR2 | |
| SCHEMBL6747828 | 0.84 | CTSL (0.47) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6749622 | 0.80 | CTSB (0.42) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6747702 | 0.79 | CTSL (0.44) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6751639 | 0.79 | CTSL (0.50) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6747732 | 0.79 | CTSL (0.40) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6752379 | 0.79 | HPGDS (0.48) | CTSLCTSBCTSSHDAC3HDAC1 | |
| SCHEMBL6752286 | 0.79 | CTSL (0.51) | CTSLCTSBCTSSMAPTMEN1 | |
| SCHEMBL6751875 | 0.79 | CTSB (0.46) | CTSLCTSVCTSBCTSSHPGDS | |
| SCHEMBL6747821 | 0.78 | CTSL (0.39) | CTSLCTSVCTSBCTSSHPGDS |
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-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |