Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 6/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7105432 | 1.00 | PDK2 (0.41) | PDK2PTPN11TP53TSHRLTA4H | |
| SCHEMBL7106718 | 0.88 | PDK2 (0.38) | PDK2PTPN11TP53TSHRFAAH | |
| Iodide SCHEMBL8736416 | 0.84 | PTGDR2 (0.47) | PDK2PTPN11PLA2G4BPTPN1DRD2 | |
| SCHEMBL7105435 | 0.82 | NPC1 (0.50) | PTPN11TP53TSHRPLA2G4BRARB | |
| SCHEMBL7104301 | 0.82 | NPC1 (0.50) | PTPN11TP53TSHRPLA2G4BRARB | |
| Iodide SCHEMBL8736533 | 0.79 | PTGDR2 (0.52) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL8748873 | 0.77 | CYP1A2 (0.45) | PDK2PTPN11TSHRLTA4HRARB | |
| SCHEMBL8748429 | 0.77 | CYP1A2 (0.45) | PDK2PTPN11TSHRLTA4HRARB | |
| SCHEMBL8748388 | 0.77 | CYP1A2 (0.45) | PDK2PTPN11TSHRLTA4HRARB | |
| Hydrogen Sulfide SCHEMBL3740922 | 0.76 | RARB (0.43) | PDK2PTPN11TP53TSHRLTA4H |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1162406-C | Liquid crystal compounds having chiral fluorinated terminal portion | 美国3M公司 | 2004-08-18 | — | — | CN | disclosed |
| EP-1042302-B1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 2003-09-24 | — | — | EP | disclosed |
| US-6309561-B1 | Liquid crystal compounds having a chiral fluorinated terminal portion | 3M INNOVATIVE PROPERTIES COMPANY | 2001-10-30 | — | — | US | disclosed |
| CN-1283193-A | Liquid crystal compounds having chiral fluorinated terminal portion | MINNESOTA MINING & MFG (US) | 2001-02-07 | — | — | CN | disclosed |
| EP-1042302-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033814-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |