Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.61 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.56 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.56 |
| ▸ | ITGAV | P06756 | 2/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KCNQ1 | P51787 | 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 | |
|---|---|---|---|---|
| SCHEMBL7325830 | 0.98 | ITGA4 (0.57) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7323451 | 0.96 | ITGA4 (0.63) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7508673 | 0.90 | ITGA4 (0.58) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7319551 | 0.90 | ITGA4 (0.62) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7325073 | 0.89 | ITGA4 (0.56) | ITGA4ITGB1ITGA5ITGAVKMT2A | |
| SCHEMBL7504392 | 0.89 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7511221 | 0.88 | ITGA4 (0.63) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL6714623 | 0.88 | ITGA4 (0.66) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7506963 | 0.88 | ITGA4 (0.56) | ITGA4ITGB1ITGA5ITGAVITGB7 | |
| SCHEMBL7361018 | 0.88 | ITGA4 (0.55) | ITGA4ITGB1ITGA5ITGB7ALDH1A1 |
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 |