Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 4/20 | 0.40 |
| ▸ | FPGS | Q05932 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7686484 | 0.91 | CA2 (0.44) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7666410 | 0.88 | CCKBR (0.42) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7661370 | 0.88 | CCKBR (0.44) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7701294 | 0.88 | CA2 (0.50) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7420467 | 0.85 | PTPN1 (0.45) | CA2CCKBRDHFRFPGSCTSL | |
| SCHEMBL7428036 | 0.83 | CA2 (0.45) | CA2CCKBRHDAC3HDAC1HDAC2 | |
| SCHEMBL7425669 | 0.80 | ALDH1A1 (0.52) | CA2CCKBRHDAC3HDAC1HDAC2 | |
| SCHEMBL7704769 | 0.78 | CA2 (0.52) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7678439 | 0.76 | ADAMTS4 (0.48) | CA2CCKBRDHFRFPGSMAPT | |
| SCHEMBL7391842 | 0.75 | HDAC8 (0.46) | CA2CCKBRMAPK14 |
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 |