Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 12/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 3/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150263 | 0.84 | NR1H2 (0.46) | PDE4BNR1H2NR1H3RXRA | |
| SCHEMBL5153357 | 0.83 | PDE4B (0.44) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5153880 | 0.83 | PDE4B (0.44) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5153201 | 0.82 | PDE4B (0.44) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5150005 | 0.82 | PDE4B (0.44) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5152868 | 0.81 | PDE4B (0.42) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5153277 | 0.81 | PDE4B (0.42) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL6544049 | 0.77 | PDE4B (0.42) | PDE4BNR1H2NR1H3PDE4APDE4C | |
| SCHEMBL5153734 | 0.77 | L3MBTL1 (0.42) | NR1H2NR1H3RXRA | |
| SCHEMBL30606456 | 0.75 | PDE4B (0.42) | PDE4BNR1H2NR1H3PDE4APDE4C |
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 |