Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.57 |
| ▸ | PPARD | Q03181 | 1/20 | 0.57 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.57 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7823207 | 1.00 | LCK (0.57) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL18669414 | 1.00 | LCK (0.57) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL20435906 | 0.83 | — | — | |
| SCHEMBL31240975 | 0.83 | MAPT (0.58) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL9621074 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL22826569 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL688574 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL689632 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL7658440 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT | |
| SCHEMBL689503 | 0.82 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664604-A | Synthesis method of brominated eneyne compound E,E-22-bromo-9,11,19-trialkynyl-17,21-diene behenate | SHANGHAI INST MATERIA MEDICA | 2014-03-26 | — | — | CN | disclosed |