Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | SPR | P35270 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4687837 | 0.91 | ITGAL (0.40) | ITGB2ICAM1ITGALGAAALDH1A1 | |
| SCHEMBL4688597 | 0.82 | ALOX5 (0.48) | ITGB2ICAM1ITGALMEN1ALDH1A1 | |
| SCHEMBL4687956 | 0.81 | ALOX5 (0.50) | ITGB2ICAM1ITGALEP300MMP2 | |
| SCHEMBL4693030 | 0.78 | GAA (0.39) | ITGB2ICAM1ITGALSPREP300 | |
| SCHEMBL4689811 | 0.73 | ALOX5 (0.46) | ITGB2ICAM1ITGALGAAMEN1 | |
| SCHEMBL4692248 | 0.72 | ALOX5 (0.47) | ITGB2ICAM1ITGALALOX5CES2 | |
| SCHEMBL4690051 | 0.71 | ALOX5 (0.46) | ITGB2ICAM1ITGALMEN1ALDH1A1 | |
| SCHEMBL4692140 | 0.68 | ITGAL (0.38) | ITGB2ICAM1ITGALALOX5CES2 | |
| SCHEMBL4690039 | 0.68 | ITGAL (0.70) | ITGB2ICAM1ITGALALDH1A1CYP1A2 | |
| SCHEMBL4689907 | 0.65 | ITGAL (0.36) | ITGB2ICAM1ITGALMAPTALOX5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399155-B1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMA (US) | 2008-05-28 | — | — | EP | claimed |
| US-6414153-B1 | TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-07-02 | — | — | US | claimed |
| EP-1399155-B1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMA (US) | 2008-05-28 | — | — | EP | disclosed |
| US-6414153-B1 | TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-07-02 | — | — | US | disclosed |