Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.60 |
| ▸ | GSK3B | P49841 | 3/20 | 0.59 |
| ▸ | BACE1 | P56817 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.53 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20024692 | 0.86 | LCK (0.77) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL14786203 | 0.86 | LCK (0.77) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL8913590 | 0.84 | LCK (0.81) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL8913578 | 0.84 | LCK (0.81) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL7806237 | 0.83 | CCNB2 (0.70) | LCKGSK3BBACE1CYP1A2RAB9A | |
| SCHEMBL3907985 | 0.83 | CCNB2 (0.70) | LCKGSK3BBACE1CYP1A2RAB9A | |
| SCHEMBL6584011 | 0.83 | LMNA (0.56) | LCKGSK3BBACE1CYP1A2RAB9A | |
| SCHEMBL2092422 | 0.83 | LCK (0.64) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL2092418 | 0.83 | LCK (0.64) | LCKGSK3BBACE1CYP1A2CYP1A1 | |
| SCHEMBL763259 | 0.82 | LMNA (0.60) | LCKGSK3BBACE1CYP1A2RAB9A |
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-1798721-A | Cyclohexyl derivatives as selective estrogen receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2006-07-05 | — | — | CN | disclosed |