Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 14/20 | 0.51 |
| ▸ | CTSB | P07858 | 8/20 | 0.51 |
| ▸ | CTSL | P07711 | 4/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7691777 | 0.93 | CAPN1 (0.58) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7693964 | 0.90 | CAPN1 (0.50) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7698037 | 0.87 | CAPN1 (0.47) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7697556 | 0.87 | CAPN1 (0.53) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7694140 | 0.86 | CAPN1 (0.60) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7690013 | 0.85 | CAPN1 (0.68) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7690226 | 0.85 | CAPN1 (0.53) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7688889 | 0.85 | CAPN1 (0.53) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7696044 | 0.83 | CAPN1 (0.50) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7694680 | 0.83 | CAPN1 (0.72) | CAPN1CTSBCTSLCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-6436925-B1 | BETTER ABLE TO CROSS MEMBRANES; INHIBITORS OF CYSTEINE PROTEASES LIKE CALPAIN I AND II AND CATHEPSIN B AND L, CAN THUS BE USED TO CONTROL DISEASES ASSOCIATED WITH AN ELEVATED ACTIVITY OF CALPAIN ENZYMES OR CATHEPSIN ENZYMES | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |