Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694857 | 0.90 | CA2 (0.43) | CA2KAT6AKCNA5CASP1CAPN1 | |
| SCHEMBL7693478 | 0.85 | ACE (0.45) | CA2CASP1CAPN1CTSLCTSB | |
| SCHEMBL7696161 | 0.84 | CTSB (0.43) | CA2CASP1CAPN1CTSLCTSB | |
| SCHEMBL7700700 | 0.81 | CA2 (0.52) | CA2KAT6ACASP1CTSLCTSB | |
| SCHEMBL7698802 | 0.80 | CAPN1 (0.67) | CA2KAT6AKCNA5CASP1CAPN1 | |
| SCHEMBL7702126 | 0.80 | PLAT (0.45) | CA2KAT6AKCNA5CASP1PLAT | |
| SCHEMBL7703565 | 0.80 | CA2 (0.51) | CA2KAT6APLATCA1F2 | |
| SCHEMBL7701695 | 0.79 | CA2 (0.52) | CA2CASP1ITGB1ITGA4 | |
| SCHEMBL7704769 | 0.78 | CA2 (0.52) | CA2KAT6ACASP1CTSLCTSB | |
| SCHEMBL7704469 | 0.78 | KCNA5 (0.52) | CA2KAT6AKCNA5CASP1CAPN1 |
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 |