Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 12/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4458281 | 0.91 | ITGB1 (0.53) | ITGB1ITGA4ITGB7ITGAVKDM4E | |
| SCHEMBL4453759 | 0.89 | ITGB1 (0.41) | ITGB1ITGA4ITGB7ITGAVKDM4E | |
| SCHEMBL4457975 | 0.88 | ITGB1 (0.39) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL4448892 | 0.87 | ITGB1 (0.38) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL4564578 | 0.84 | ITGB1 (0.40) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2770852 | 0.84 | ITGB1 (0.40) | ITGB1ITGA4ITGB7ITGAVESR1 | |
| SCHEMBL4451903 | 0.83 | ITGB1 (0.36) | ITGB1ITGA4ITGB7ITGAVALDH1A1 | |
| SCHEMBL4458135 | 0.83 | ITGB1 (0.38) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL4453860 | 0.81 | ITGB1 (0.38) | ITGB1ITGA4ITGB7ITGAVALDH1A1 | |
| SCHEMBL4443989 | 0.80 | ITGB1 (0.35) | ITGB1ITGA4ITGB7ITGAVALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1635822-A4 | METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS | ELAN PHARM INC (US) | 2009-06-24 | — | — | EP | disclosed |
| EP-1507533-A4 | HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS | ELAN PHARM INC (US) | 2007-05-23 | — | — | EP | disclosed |
| EP-1635822-A2 | METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS | Elan Pharmaceuticals, Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1507533-A2 | HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS | Elan Pharmaceuticals, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2005000246-A2 | METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS | ELAN PHARMACEUTICALS, INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| WO-2003099231-A2 | HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS | ELAN PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |