Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 8/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7319946 | 0.86 | KMT2A (0.35) | ALDH1A1KMT2AADAM17 | |
| SCHEMBL7446810 | 0.85 | ITGB1 (0.51) | ITGA4ITGB1ITGA5ITGAVALDH1A1 | |
| SCHEMBL7325150 | 0.85 | ITGA4 (0.60) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7449470 | 0.85 | ITGB1 (0.48) | ITGA4ITGB1ITGA5ITGAVALDH1A1 | |
| SCHEMBL7314611 | 0.83 | ITGB3 (0.35) | ALDH1A1KMT2A | |
| SCHEMBL7315770 | 0.81 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7319858 | 0.79 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7322201 | 0.78 | ITGA4 (0.60) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL5609014 | 0.77 | ITGB1 (0.39) | ITGA4ITGB1ITGA5ITGB7ITGAV | |
| SCHEMBL7318412 | 0.76 | ALDH1A1 (0.37) | ALDH1A1KMT2A |
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 |