Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6709333 | 0.89 | ITGB1 (0.54) | ITGA4RAB9AITGB1ITGA5MAPK1 | |
| SCHEMBL6773436 | 0.88 | ITGA4 (0.53) | ITGA4RAB9AITGB1ITGA5MAPK1 | |
| SCHEMBL7070631 | 0.86 | ITGA4 (0.64) | ITGA4RAB9AITGB1ITGA5MAPK1 | |
| SCHEMBL6710732 | 0.85 | ITGA4 (0.62) | ITGA4RAB9AMAPK1TSHRALDH1A1 | |
| SCHEMBL6710840 | 0.84 | ITGA4 (0.60) | ITGA4ITGB1ITGA5MAPK1TSHR | |
| SCHEMBL6714668 | 0.82 | ITGB1 (0.56) | ITGA4RAB9AITGB1ITGA5MAPK1 | |
| SCHEMBL5690625 | 0.81 | MAPK1 (0.66) | ITGA4ITGB1ITGA5MAPK1TSHR | |
| SCHEMBL7321251 | 0.81 | ITGB1 (0.58) | ITGA4ITGB1ITGA5MAPK1TSHR | |
| SCHEMBL6710859 | 0.81 | ITGB1 (0.54) | ITGA4RAB9AITGB1ITGA5MAPK1 | |
| SCHEMBL6708263 | 0.81 | ITGB1 (0.64) | ITGA4RAB9AITGB1ITGA5MAPK1 |
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-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |