Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | KLK3 | P07288 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | 0.95 | HDAC1 (0.45) | HDAC1BACE1TLR8KLK3ALDH1A1 | |
| SCHEMBL2825919 | 0.92 | COMT (0.46) | HDAC1BACE1TLR8KLK3ALDH1A1 | |
| SCHEMBL2826223 | 0.90 | HDAC1 (0.41) | HDAC1BACE1TLR8KLK3MAPT | |
| SCHEMBL2821773 | 0.87 | KLK3 (0.42) | HDAC1BACE1TLR8KLK3ADORA3 | |
| SCHEMBL4054330 | 0.85 | MAPT (0.46) | HDAC1ALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL2825824 | 0.84 | HTR2C (0.38) | HDAC1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL4061285 | 0.83 | NPC1 (0.47) | TLR8ALDH1A1KDM4ENPC1TP53 | |
| SCHEMBL2823853 | 0.83 | MEN1 (0.53) | HDAC1ALDH1A1HPGDTP53MAPT | |
| SCHEMBL4053270 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4055321 | 0.82 | HDAC1 (0.45) | HDAC1BACE1TLR8KDM4ETP53 |
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 |