Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7105432 | 0.88 | PDK2 (0.41) | PDK2PTPN11FAAHTP53TSHR | |
| SCHEMBL7110393 | 0.88 | PDK2 (0.41) | PDK2PTPN11FAAHTP53TSHR | |
| SCHEMBL7106714 | 0.84 | NPC1 (0.45) | MAPTNPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL6535028 | 0.74 | CYP1A2 (0.37) | PDK2PTPN11FAAHLMNAMAPT | |
| SCHEMBL8748388 | 0.73 | CYP1A2 (0.45) | PDK2PTPN11LMNAMAPTMEN1 | |
| SCHEMBL8748873 | 0.73 | CYP1A2 (0.45) | PDK2PTPN11LMNAMAPTMEN1 | |
| SCHEMBL8748429 | 0.73 | CYP1A2 (0.45) | PDK2PTPN11LMNAMAPTMEN1 | |
| Iodide SCHEMBL8736416 | 0.73 | PTGDR2 (0.47) | PDK2PTPN11LMNAMAPTMEN1 | |
| SCHEMBL7105761 | 0.72 | RARB (0.51) | MAPTMEN1KMT2ANFKB1NFKB2 | |
| SCHEMBL8748921 | 0.72 | CYP1A2 (0.50) | PDK2PTPN11FAAHLMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |