Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 2/20 | 0.42 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22083060 | 0.91 | POLB (0.40) | PTPN11RARBNPC1POLBAPEX1 | |
| SCHEMBL22083501 | 0.89 | THRB (0.45) | PTPN11RARBSMN1; SMN2PLA2G4A | |
| SCHEMBL22083248 | 0.87 | THRB (0.43) | PTPN11RARBSMN1; SMN2PLA2G4A | |
| SCHEMBL22083506 | 0.86 | THRB (0.40) | PTPN11RARBLMNACYP3A4SMN1; SMN2 | |
| SCHEMBL22083052 | 0.86 | PTPN11 (0.40) | PTPN11RARBLMNAPOLBAPEX1 | |
| SCHEMBL22459859 | 0.84 | EGFR (0.39) | PTPN11RARBALPL | |
| SCHEMBL22459430 | 0.84 | BACE1 (0.42) | PTPN11RARBPOLBAPEX1HTT | |
| SCHEMBL22083500 | 0.84 | PTPN11 (0.38) | PTPN11NPC1POLBAPEX1HTT | |
| SCHEMBL22083244 | 0.83 | THRB (0.47) | PTPN11RARBSMN1; SMN2 | |
| SCHEMBL22459237 | 0.83 | PTPN11 (0.39) | PTPN11RARBNPC1SMN1; SMN2ALPL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020116380-A1 | COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 | 2020-06-11 | — | — | WO | disclosed |