Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 9/20 | 0.72 |
| ▸ | CTSB | P07858 | 5/20 | 0.53 |
| ▸ | CTSL | P07711 | 3/20 | 0.53 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7695839 | 0.92 | CAPN1 (0.70) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7691777 | 0.87 | CAPN1 (0.58) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7690013 | 0.87 | CAPN1 (0.68) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7688971 | 0.83 | CAPN1 (0.51) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7694140 | 0.82 | CAPN1 (0.60) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7690746 | 0.80 | CAPN1 (0.56) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7787056 | 0.80 | CAPN1 (1.00) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7791353 | 0.80 | CAPN1 (0.75) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7791357 | 0.80 | CAPN1 (0.75) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7787053 | 0.80 | CAPN1 (1.00) | CAPN1CTSBCTSLCTSSCTSK |
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 |