Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 7/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788744 | 1.00 | CTSK (0.55) | CTSKGRIK1GRIK2CTSSCTSL | |
| SCHEMBL7781128 | 0.88 | GRIK1 (0.49) | CTSKGRIK1GRIK2CTSSCTSL | |
| SCHEMBL1429799 | 0.87 | CTSK (0.61) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL2399357 | 0.87 | CTSK (0.61) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL1429918 | 0.87 | CTSK (0.61) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL7788166 | 0.85 | GRIK1 (0.51) | CTSKGRIK1GRIK2CTSSCTSL | |
| SCHEMBL16343550 | 0.84 | CTSK (0.46) | CTSKGRIK1GRIK2CTSSCTSL | |
| SCHEMBL28752529 | 0.84 | CTSS (0.56) | CTSKCTSSCTSLCTSB | |
| SCHEMBL29063337 | 0.84 | CTSS (0.56) | CTSKCTSSCTSLCTSB | |
| SCHEMBL7785602 | 0.84 | CTSK (0.46) | CTSKGRIK1GRIK2CTSSCTSL |
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-0826663-B1 | Alkynylamino acid derivatives and their use as pharmaceutical compounds | LILLY CO ELI (GB) | 2001-10-31 | — | — | EP | disclosed |