Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877660 | 0.91 | CYP3A4 (0.40) | CYP3A4CYP2D6SMPD1RARBSOAT1 | |
| SCHEMBL7880089 | 0.91 | CYP3A4 (0.40) | CYP3A4CYP2D6SMPD1RARBSOAT1 | |
| SCHEMBL7877662 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2D6SOAT1PTPN11ELOVL1 | |
| SCHEMBL7871760 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2D6SOAT1PTPN11ELOVL1 | |
| SCHEMBL7875959 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2D6RARBSOAT1PTPN11 | |
| SCHEMBL7879454 | 0.86 | CYP3A4 (0.38) | CYP3A4CYP2D6SOAT1PTPN11ELOVL1 | |
| SCHEMBL7880258 | 0.85 | CYP3A4 (0.37) | CYP3A4CYP2D6RARBSOAT1PTPN11 | |
| SCHEMBL7875881 | 0.83 | RAB9A (0.36) | CYP3A4CYP2D6RARBCNR2CHEK2 | |
| SCHEMBL7105447 | 0.83 | NR5A1 (0.45) | RARBPTPN11NR5A1 | |
| SCHEMBL8177208 | 0.81 | TOP2A (0.38) | PTPN11 |
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-0883618-B1 | DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-05-16 | — | — | EP | disclosed |
| US-6022492-A | FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE | HOESCHT RESEARCH & TECHNOLOGY DEUTCHLAND GMBH & CO. (DE) | 2000-02-08 | — | — | US | disclosed |
| EP-0883618-A1 | DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997024351-A1 | DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO.KG (DE) | 1997-07-10 | — | — | WO | disclosed |