Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 6/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | ANPEP | P15144 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.33 |
| ▸ | CIT | O14578 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CTSH | P09668 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703749 | 0.87 | CTSK (0.32) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4701046 | 0.82 | AKR1C3 (0.34) | GPR88CTSKCTSBCTSSCTSL | |
| SCHEMBL4701072 | 0.75 | PDCD1 (0.35) | CTSKCTSBCTSSCTSLSMN1; SMN2 | |
| SCHEMBL4704896 | 0.74 | CTSK (0.34) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4701624 | 0.74 | CTSL (0.42) | CTSBCTSSCTSL | |
| SCHEMBL4699471 | 0.73 | KCNH2 (0.36) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4703639 | 0.73 | CTSK (0.36) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4701830 | 0.72 | CTSK (0.37) | GPR88CTSKCTSBCTSSCTSL | |
| SCHEMBL4699453 | 0.71 | CTSS (0.64) | CTSKCTSBCTSSCTSL | |
| SCHEMBL4703463 | 0.69 | HRH3 (0.37) | CTSKCTSBCTSSCTSLHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |