Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158467 | 0.90 | PDE10A (0.35) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL9739003 | 0.81 | TLR8 (0.36) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10272527 | 0.79 | PDE10A (0.32) | PDE10A | |
| SCHEMBL9843680 | 0.76 | NPC1 (0.34) | TLR8TLR7SIRT1NOS2 | |
| SCHEMBL9738954 | 0.76 | ADORA2A (0.40) | ALDH1A1TLR8TLR7SIRT1NOS2 | |
| SCHEMBL12251371 | 0.72 | CASP1 (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10911101 | 0.72 | CETP (0.36) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL1318651 | 0.72 | ALDH1A1 (0.40) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL17280956 | 0.71 | HRH4 (0.32) | TLR8TLR7L3MBTL1NOS2 | |
| SCHEMBL16019754 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TLR7CYP1A2CYP2C19L3MBTL1 |
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-5100897-A | Hypotensive agents, congestive heart failure, ocular hypertension | MERCK & CO., INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0419048-A2 | Substituted pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-03-27 | — | — | EP | disclosed |