Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.44 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.44 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7869625 | 0.89 | PDE4A (0.52) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5868879 | 0.88 | L3MBTL1 (0.51) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5868816 | 0.85 | IDO1 (0.54) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7289319 | 0.84 | HTT (0.69) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5868840 | 0.84 | HTT (0.69) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10851507 | 0.84 | PDE4A (0.59) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7280094 | 0.79 | CYP3A4 (0.67) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10663235 | 0.79 | IDO1 (0.52) | PDE4APDE4BPDE4CPDE4DABL1 | |
| SCHEMBL4081415 | 0.78 | L3MBTL1 (0.58) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19031379 | 0.78 | IDO1 (0.51) | HTTPDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6306853-B1 | DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS | NIKKEN CHEMICALS CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1055672-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | Nikken Chemicals Company, Limited (JP) | 2000-11-29 | — | — | EP | disclosed |
| US-4734415-A | CARDIOTONIC, HYPOTENSIVE | WARNER-LAMBERT COMPANY (US) | 1988-03-29 | — | — | US | disclosed |