Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27849311 | 0.88 | CXCR2 (0.38) | CXCR2CXCR1KDM4EPPARA | |
| SCHEMBL27639247 | 0.88 | CXCR2 (0.38) | CXCR2CXCR1KDM4EPPARA | |
| SCHEMBL27620196 | 0.86 | CXCR2 (0.37) | CXCR2CXCR1PPARGPPARA | |
| SCHEMBL27620195 | 0.81 | PTPN1 (0.41) | LDHACXCR2CXCR1PTPN1P2RX7 | |
| SCHEMBL6464419 | 0.81 | ITGA4 (0.47) | — | |
| SCHEMBL27941871 | 0.78 | CTSS (0.44) | LDHAPTPRBPPARGPPARA | |
| SCHEMBL29107714 | 0.78 | CTSS (0.44) | LDHAPTPRBPPARGPPARA | |
| SCHEMBL2856829 | 0.78 | ITGB3 (0.52) | PTPN1P2RX7ITGB3ITGA2BABCB1 | |
| SCHEMBL2863819 | 0.78 | KDM4E (0.43) | CXCR2P2RX7KDM4EKDM4AITGB3 | |
| SCHEMBL2856826 | 0.78 | ITGB3 (0.52) | PTPN1P2RX7ITGB3ITGA2BABCB1 |
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-1244611-B1 | SQUARIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | CELLTECH R&D LTD (GB) | 2004-06-30 | — | — | EP | disclosed |