Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.53 |
| ▸ | ITGAV | P06756 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4750015 | 1.00 | ITGB1 (0.53) | ITGB1ITGAVCYP1A2MAPTBLM | |
| SCHEMBL4625484 | 0.83 | KDM4E (0.50) | ITGB1ITGAVCYP1A2MAPTBLM | |
| SCHEMBL3319930 | 0.81 | ITGB1 (0.61) | ITGB1ITGAVCYP1A2MAPTKMT2A | |
| SCHEMBL4625490 | 0.79 | ITGB1 (0.59) | ITGB1ITGAVKMT2AALDH1A1HPGD | |
| SCHEMBL1030228 | 0.79 | ITGB1 (0.49) | ITGB1ITGAVCYP1A2MAPTKDM4E | |
| SCHEMBL1028112 | 0.78 | ITGB1 (0.55) | ITGB1ITGAVCYP1A2MAPTKMT2A | |
| SCHEMBL3317946 | 0.77 | ITGB1 (0.58) | ITGB1ITGAVCYP1A2ABL1FFAR1 | |
| SCHEMBL4747267 | 0.77 | ITGB1 (0.47) | ITGB1ITGAVABL1 | |
| SCHEMBL3314275 | 0.77 | ITGB1 (0.67) | ITGB1ITGAVCYP1A2MAPTMEN1 | |
| SCHEMBL3318103 | 0.77 | ITGB1 (0.67) | ITGB1ITGAVCYP1A2MAPTMEN1 |
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 | disclosed |