Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL14032494 | 0.83 | ALDH1A1 (0.50) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8334710 | 0.81 | ACHE (0.49) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8324410 | 0.81 | ACHE (0.49) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8867397 | 0.80 | ACHE (0.54) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8298141 | 0.80 | ALDH1A1 (0.60) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8205052 | 0.79 | ACHE (0.50) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL8323966 | 0.79 | GAA (0.45) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL613458 | 0.77 | ACHE (0.50) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL16694400 | 0.77 | ACHE (0.50) | ACHECA1CA2PPARGPPARD | |
| SCHEMBL16694239 | 0.77 | ACHE (0.50) | ACHECA1CA2PPARGPPARD |
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 |