Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 2/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544086 | 0.85 | PYGL (0.40) | ALDH1A1PYGLITGA4PDE4DMEN1 | |
| SCHEMBL5152038 | 0.82 | MEN1 (0.41) | ALDH1A1PYGLITGA4IDO1PDE4D | |
| SCHEMBL14558830 | 0.78 | ITGA4 (0.52) | ALDH1A1PYGLITGA4ITGB1 | |
| SCHEMBL5155099 | 0.77 | ITGA4 (0.51) | ALDH1A1PYGLITGA4ITGB1 | |
| SCHEMBL5156521 | 0.77 | ITGA4 (0.45) | PYGLITGA4MEN1KMT2AITGB1 | |
| SCHEMBL5149792 | 0.77 | MEN1 (0.41) | ALDH1A1PYGLITGA4PDE4DMEN1 | |
| SCHEMBL5157221 | 0.74 | ITGA4 (0.48) | ITGA4ITGB1 | |
| SCHEMBL6209429 | 0.73 | ITGA4 (0.41) | PYGLITGA4ITGB1NPC1RAB9A | |
| SCHEMBL6273679 | 0.73 | ITGA4 (0.47) | PYGLITGA4MEN1KMT2AITGB1 | |
| SCHEMBL5152912 | 0.73 | ITGA4 (0.51) | ALDH1A1PYGLITGA4PDE4DITGB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |