Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | CTSS | P25774 | 5/20 | 0.56 |
| ▸ | CTSK | P43235 | 4/20 | 0.56 |
| ▸ | CTSB | P07858 | 3/20 | 0.56 |
| ▸ | ACE | P12821 | 1/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.52 |
| ▸ | ITGAV | P06756 | 2/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.48 |
| ▸ | PPARA | Q07869 | 5/20 | 0.48 |
| ▸ | PPARG | P37231 | 4/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.48 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.46 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3316089 | 0.92 | CTSS (0.54) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3317745 | 0.88 | ITGB1 (0.56) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3315439 | 0.87 | ITGB1 (0.71) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3318595 | 0.87 | ITGB1 (0.71) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL4626858 | 0.87 | ITGB1 (0.71) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL4627669 | 0.86 | ITGB1 (0.55) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3315927 | 0.86 | ITGB1 (0.55) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3314031 | 0.86 | ITGB1 (0.55) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL4627618 | 0.85 | PTPN1 (0.58) | PTPN1CTSSCTSKCTSBACE | |
| SCHEMBL3318761 | 0.84 | ITGB1 (0.59) | PTPN1CTSSCTSKCTSBACE |
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-1501801-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | claimed |