Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 6/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19621353 | 0.84 | NOTUM (0.44) | ESR2CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL18454988 | 0.83 | NOTUM (0.46) | ESR2CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL21169763 | 0.81 | NPC1 (0.53) | ESR2CYP3A4CYP2C9NPC1RAB9A | |
| SCHEMBL18257875 | 0.78 | ESR2 (1.00) | ESR2CYP3A4CYP2C9ESR1CYP2D6 | |
| SCHEMBL16743001 | 0.78 | ESR2 (1.00) | ESR2CYP3A4CYP2C9ESR1CYP2D6 | |
| SCHEMBL18257876 | 0.78 | ESR2 (1.00) | ESR2CYP3A4CYP2C9ESR1CYP2D6 | |
| SCHEMBL22788372 | 0.77 | NPC1 (0.43) | ESR2CYP3A4CYP2C9NPC1RAB9A | |
| SCHEMBL7265967 | 0.76 | NPC1 (0.65) | ESR2CYP2C9NPC1RAB9ACYP2D6 | |
| SCHEMBL18900787 | 0.76 | NPC1 (0.59) | ESR2NPC1RAB9ACYP2D6SLC18A3 | |
| SCHEMBL25070636 | 0.74 | ESR2 (0.62) | ESR2CYP3A4CYP2C9KCNH2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2933309-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2018-04-25 | — | — | EP | disclosed |