Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703492 | 0.90 | CA2 (0.42) | CA2CA1ACECTSLCTSB | |
| SCHEMBL7700700 | 0.89 | CA2 (0.52) | CA2CA1ACECTSLCTSB | |
| SCHEMBL7706585 | 0.89 | ALDH1A1 (0.53) | CA2CA1CA12CA9MEN1 | |
| SCHEMBL7428036 | 0.85 | CA2 (0.45) | CA2CA1ACECA12CA9 | |
| SCHEMBL7702953 | 0.84 | PTPN1 (0.53) | CA2ACECTSLCTSBCTSS | |
| SCHEMBL7701294 | 0.83 | CA2 (0.50) | CA2CA1ACECTSLCTSB | |
| SCHEMBL7694179 | 0.82 | AKR1C3 (0.48) | CA2ALDH1A1GAAKAT6A | |
| SCHEMBL7701184 | 0.81 | USP30 (0.49) | CA2CA1ACECA12CA9 | |
| SCHEMBL7694857 | 0.81 | CA2 (0.43) | CA2CA1ACECTSLCTSB | |
| SCHEMBL7702126 | 0.81 | PLAT (0.45) | CA2CA1KAT6A |
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 |