Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 4/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415719 | 0.86 | ITGA4 (0.46) | KLK5CTSSCTSKITGA4ITGB7 | |
| SCHEMBL7415773 | 0.82 | ITGB1 (0.52) | ITGA4ITGB7 | |
| SCHEMBL7422644 | 0.80 | ITGB1 (0.51) | ITGA4ITGB7 | |
| SCHEMBL1826757 | 0.79 | CTSS (0.69) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL2802961 | 0.79 | CTSS (0.69) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL10033679 | 0.79 | CTSS (0.69) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL7421167 | 0.78 | ITGA4 (0.46) | KLK5CTSSCTSKITGA4ITGB7 | |
| SCHEMBL7535596 | 0.78 | ITGA4 (0.48) | KLK5CTSSCTSKITGA4ITGB7 | |
| SCHEMBL84524 | 0.78 | KLK5 (0.72) | KLK5CTSSCTSKEPHX2CTSB | |
| SCHEMBL21473748 | 0.78 | KLK5 (0.72) | KLK5CTSSCTSKEPHX2CTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244625-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042215-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-14 | — | — | WO | disclosed |