Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 3/20 | 0.49 |
| ▸ | CTSE | P14091 | 3/20 | 0.49 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 8/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | CMA1 | P23946 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8334047 | 0.93 | CALCRL (0.49) | CTSDCTSECALCRLPSEN1PSEN2 | |
| SCHEMBL7411063 | 0.91 | ACE (0.56) | ACEACE2LTA4H | |
| SCHEMBL8060131 | 0.91 | ACE (0.56) | ACEACE2LTA4H | |
| SCHEMBL1223367 | 0.88 | ITGB1 (0.64) | ITGB1ITGA4 | |
| SCHEMBL2195410 | 0.85 | ACE (0.50) | CALCRLACEACE2LTA4H | |
| SCHEMBL15251858 | 0.84 | MEN1 (0.57) | ACEACE2LTA4HITGB1ITGA4 | |
| SCHEMBL15251857 | 0.84 | MEN1 (0.57) | ACEACE2LTA4HITGB1ITGA4 | |
| SCHEMBL20484735 | 0.84 | CCR1 (0.56) | ACEACE2LTA4HCMA1 | |
| SCHEMBL18619612 | 0.84 | CCR1 (0.56) | ACEACE2LTA4HCMA1 | |
| SCHEMBL7419554 | 0.84 | REN (0.54) | CTSDCTSEACEACE2BACE1 |
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-0914605-B1 | MOLECULAR MODEL FOR VLA-4 INHIBITORS | BIOGEN IDEC INC (US) | 2007-05-30 | — | — | EP | disclosed |
| US-6552216-B1 | Cell adhesion inhibitors; suppressing or preventing integrin very late antigen-4 binding to its ligands | BIOGEN, INC. | 2003-04-22 | — | — | US | disclosed |