Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.48 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 6/20 | 0.44 |
| ▸ | CTSK | P43235 | 5/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7422329 | 0.85 | ITGA4 (0.48) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7415719 | 0.85 | ITGA4 (0.46) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7421167 | 0.85 | ITGA4 (0.46) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7420188 | 0.78 | KLK5 (0.49) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL1822923 | 0.78 | CTSS (0.58) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL1824118 | 0.77 | ITGA4 (0.56) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL10033679 | 0.77 | CTSS (0.69) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL2802961 | 0.77 | CTSS (0.69) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL1826757 | 0.77 | CTSS (0.69) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL6235727 | 0.77 | ITGA4 (0.54) | ITGA4ITGB7KLK5CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002008202-A2 | ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |