Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 12/20 | 0.53 |
| ▸ | CTSB | P07858 | 7/20 | 0.53 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7695988 | 0.97 | CAPN1 (0.50) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7697767 | 0.97 | CAPN1 (0.54) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7695276 | 0.96 | CAPN1 (0.51) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7696627 | 0.96 | CAPN1 (0.51) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7696618 | 0.91 | CAPN1 (0.51) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691158 | 0.90 | CAPN1 (0.54) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7695419 | 0.89 | CAPN1 (0.49) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7691329 | 0.89 | CAPN1 (0.53) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7690823 | 0.89 | CAPN1 (0.60) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL7693032 | 0.88 | CAPN1 (0.49) | 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 |