Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 4/20 | 0.41 |
| ▸ | FPGS | Q05932 | 2/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7682464 | 0.91 | CA2 (0.42) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7704769 | 0.88 | CA2 (0.52) | CA2KAT6ACTSLCTSBCTSS | |
| SCHEMBL7661370 | 0.87 | CCKBR (0.44) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7678439 | 0.86 | ADAMTS4 (0.48) | CA2CCKBRDHFRFPGSKAT6A | |
| SCHEMBL7666410 | 0.85 | CCKBR (0.42) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7684139 | 0.84 | CA2 (0.48) | CA2CCKBRKAT6ACA12CA1 | |
| SCHEMBL7682470 | 0.82 | ALDH1A1 (0.51) | CA2CCKBRKAT6A | |
| SCHEMBL7564537 | 0.82 | CA2 (0.54) | CA2CASP1CA12CA1CA9 | |
| SCHEMBL7701294 | 0.80 | CA2 (0.50) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7680584 | 0.77 | AKR1C3 (0.48) | CCKBRKAT6AOPRD1 |
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 |