Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.51 |
| ▸ | CTSB | P07858 | 7/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7688501 | 0.86 | CAPN1 (0.58) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7692161 | 0.84 | CAPN1 (0.70) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7694140 | 0.78 | CAPN1 (0.60) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7689922 | 0.76 | CAPN1 (0.57) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7697278 | 0.76 | CAPN1 (0.47) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7697381 | 0.75 | CAPN1 (0.50) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691261 | 0.75 | CAPN1 (0.47) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7695233 | 0.74 | CAPN1 (0.54) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7690197 | 0.74 | CAPN1 (0.51) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7697613 | 0.73 | CAPN1 (0.52) | CAPN1CTSBCTSSCTSKCTSL |
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 |