Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5155115 | 0.94 | GAA (0.44) | GAAGFERNPSR1ITGA4ALDH1A1 | |
| SCHEMBL5154993 | 0.92 | ITGA4 (0.47) | GAAGFERNPSR1ERAP1ERAP2 | |
| SCHEMBL5155630 | 0.87 | PYGL (0.45) | ITGA4ALDH1A1PYGLMEN1KMT2A | |
| SCHEMBL5151886 | 0.86 | GAA (0.45) | GAAGFERNPSR1ITGA4ALDH1A1 | |
| SCHEMBL5150028 | 0.86 | PYGL (0.45) | ITGA4ALDH1A1PYGLMEN1KMT2A | |
| SCHEMBL5151889 | 0.86 | GAA (0.44) | GAAGFERNPSR1ERAP1ERAP2 | |
| SCHEMBL5157084 | 0.84 | ALDH1A1 (0.46) | ITGA4ALDH1A1PYGLMEN1KMT2A | |
| SCHEMBL14558616 | 0.81 | GAA (0.44) | GAAGFERNPSR1ERAP1ERAP2 | |
| SCHEMBL5152504 | 0.81 | PYGL (0.45) | GAANPSR1ITGA4ALDH1A1PYGL | |
| SCHEMBL5150320 | 0.81 | PYGL (0.48) | ITGA4ALDH1A1PYGLMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |