Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL7864231 | 1.00 | CYP2A6 (0.48) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL9434641 | 0.84 | CA12 (0.40) | CYP2C9CYP2C19CYP3A4CYP1A2FFAR1 | |
| SCHEMBL9434629 | 0.84 | CA12 (0.40) | CYP2C9CYP2C19CYP3A4CYP1A2FFAR1 | |
| SCHEMBL9434020 | 0.75 | GAA (0.35) | CYP2C9CYP2C19CYP3A4CYP1A2FFAR1 | |
| SCHEMBL9434034 | 0.75 | GAA (0.35) | CYP2C9CYP2C19CYP3A4CYP1A2FFAR1 | |
| SCHEMBL29883579 | 0.75 | CYP19A1 (0.47) | CYP2C9CYP3A4CYP1A2TBXAS1 | |
| SCHEMBL28764754 | 0.74 | LMNA (0.52) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL8329404 | 0.73 | CHRNA7 (0.54) | CYP2A6PTAFRL3MBTL1TBXAS1 | |
| SCHEMBL8329403 | 0.73 | CHRNA7 (0.54) | CYP2A6PTAFRL3MBTL1TBXAS1 | |
| SCHEMBL7054843 | 0.72 | CHRNB2 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 |
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-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 |