Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL7704769 | 0.90 | CA2 (0.52) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7682464 | 0.88 | CA2 (0.42) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7696723 | 0.87 | CTSS (0.50) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7694676 | 0.87 | CTSL (0.49) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7702953 | 0.84 | PTPN1 (0.53) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7698087 | 0.83 | CA2 (0.51) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7686484 | 0.80 | CA2 (0.44) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7706585 | 0.80 | ALDH1A1 (0.53) | CA2CA1GAACA12CA9 | |
| SCHEMBL7694857 | 0.78 | CA2 (0.43) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7661370 | 0.76 | CCKBR (0.44) | CA2CTSLCTSBCTSSCTSK |
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 |