Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.46 |
| ▸ | CTSB | P07858 | 5/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7689922 | 0.87 | CAPN1 (0.57) | CAPN1CTSBCASP1KCNA5CTSL | |
| SCHEMBL7696004 | 0.83 | CAPN1 (0.46) | CAPN1CTSBCASP1KCNA5CTSL | |
| SCHEMBL7693964 | 0.83 | CAPN1 (0.50) | CAPN1CTSBCASP1KCNA5CTSL | |
| SCHEMBL7698802 | 0.81 | CAPN1 (0.67) | CAPN1CTSBCASP1KCNA5CTSL | |
| SCHEMBL7688501 | 0.80 | CAPN1 (0.58) | CAPN1CTSBCASP1KCNA5CTSL | |
| SCHEMBL7704469 | 0.79 | KCNA5 (0.52) | CAPN1CASP1KCNA5MMP9CA2 | |
| SCHEMBL7695839 | 0.79 | CAPN1 (0.70) | CAPN1CTSBCASP1CTSLCTSS | |
| SCHEMBL7691261 | 0.78 | CAPN1 (0.47) | CAPN1CTSBCASP1CTSLCTSS | |
| SCHEMBL7697278 | 0.78 | CAPN1 (0.47) | CAPN1CTSBCASP1CTSLCTSS | |
| SCHEMBL7691777 | 0.76 | CAPN1 (0.58) | CAPN1CTSBKCNA5CTSLCTSS |
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 |