Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 7/20 | 0.46 |
| ▸ | CTSB | P07858 | 5/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CCR2 | P41597 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7695354 | 0.99 | CAPN1 (0.46) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691476 | 0.96 | CAPN1 (0.47) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7693169 | 0.95 | CAPN1 (0.53) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7690557 | 0.94 | CAPN1 (0.52) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7694302 | 0.94 | CAPN1 (0.47) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691022 | 0.94 | CAPN1 (0.45) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7693664 | 0.91 | CAPN1 (0.53) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7693032 | 0.90 | CAPN1 (0.49) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691143 | 0.90 | CAPN1 (0.54) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7688914 | 0.89 | CAPN1 (0.49) | CAPN1CTSBCTSSCTSKCTSL |
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 |