Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | BCL2 | P10415 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 4/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701695 | 0.90 | CA2 (0.52) | PTPN1CA2GPR132GAARAB9A | |
| SCHEMBL7420467 | 0.87 | PTPN1 (0.45) | PTPN1CA2BCL2PTPN2CDC25B | |
| SCHEMBL7694848 | 0.87 | PTPN1 (0.55) | PTPN1CA2GPR132GAARAB9A | |
| SCHEMBL7696969 | 0.87 | PTPN1 (0.56) | PTPN1CA2GPR132GAARAB9A | |
| SCHEMBL7701294 | 0.84 | CA2 (0.50) | PTPN1CA2GAARAB9ACTSL | |
| SCHEMBL7698087 | 0.84 | CA2 (0.51) | PTPN1CA2GAARAB9ACTSL | |
| SCHEMBL7706585 | 0.81 | ALDH1A1 (0.53) | CA2GAA | |
| SCHEMBL7678439 | 0.80 | ADAMTS4 (0.48) | PTPN1CA2GAABCL2NPC1 | |
| SCHEMBL7694857 | 0.79 | CA2 (0.43) | CA2CTSLCTSBCTSSCTSK | |
| SCHEMBL7789811 | 0.77 | PIN1 (0.55) | PTPN1GPR132PTPN2CDC25BMAOB |
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 |