Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 7/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 2/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.42 |
| ▸ | CDC25B | P30305 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3316020 | 0.92 | CTSB (0.46) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4627618 | 0.92 | PTPN1 (0.58) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4627526 | 0.86 | ITGB1 (0.52) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4624438 | 0.85 | PTPN1 (0.54) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL3317006 | 0.84 | CTSS (0.54) | PTPN1CTSBCTSSCTSKACE | |
| SCHEMBL2290589 | 0.83 | ITGB3 (0.62) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL2290585 | 0.83 | ITGB3 (0.62) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4625765 | 0.83 | PTPN1 (0.52) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4625464 | 0.82 | PTPN1 (0.49) | PTPN1CTSBCTSSCTSKPPARG | |
| SCHEMBL4625259 | 0.81 | ITGB1 (0.67) | PTPN1ITGB3ITGB1ITGAVITGA4 |
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 |