Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK3 | P07288 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.41 |
| ▸ | DHPS | P49366 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829672 | 0.88 | HDAC1 (0.45) | KLK3HDAC1BRD4ADORA3ADORA2A | |
| SCHEMBL2826787 | 0.87 | HDAC1 (0.48) | KLK3HDAC1BRD4ADORA3ADORA2A | |
| SCHEMBL2825919 | 0.87 | COMT (0.46) | KLK3HDAC1ADORA3ADORA2AADORA1 | |
| SCHEMBL2826119 | 0.80 | PDE4B (0.39) | HDAC1PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL2826223 | 0.78 | HDAC1 (0.41) | KLK3HDAC1PDE4BADORA3ADORA2A | |
| SCHEMBL4053270 | 0.78 | SMN1; SMN2 (0.49) | PDE4BPDE4APDE4CPDE4DADORA3 | |
| SCHEMBL8443534 | 0.77 | PDE4B (0.41) | KLK3PDE4BADORA2AADORA1 | |
| SCHEMBL4061285 | 0.76 | NPC1 (0.47) | PDE4BADORA2AADORA1KMT2ATLR8 | |
| SCHEMBL4054330 | 0.76 | MAPT (0.46) | HDAC1ADORA2AKMT2A | |
| SCHEMBL2825970 | 0.76 | PDE4B (0.69) | PDE4BADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010069504-A1 | (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS | ALMIRALL, S.A. (ES) | 2010-06-24 | — | — | WO | disclosed |
| EP-2196465-A1 | (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors | Almirall, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |