Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 5/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 10/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450450 | 1.00 | ITGA4 (0.49) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7511565 | 0.92 | ITGA4 (0.52) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7506837 | 0.92 | ITGA4 (0.52) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7316222 | 0.90 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7316216 | 0.90 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7325796 | 0.86 | MAPK1 (0.48) | ITGA4ITGB1MAPK1KMT2AGAA | |
| SCHEMBL7325803 | 0.86 | MAPK1 (0.48) | ITGA4ITGB1MAPK1KMT2AGAA | |
| SCHEMBL7507301 | 0.86 | ITGA4 (0.50) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7326267 | 0.84 | ITGA4 (0.60) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7326273 | 0.84 | ITGA4 (0.60) | ITGA4ITGB1ITGA5ITGB7ITGAV |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |