Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7882429 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7877996 | 0.91 | HTR1A (0.37) | CYP3A4CYP2D6PTPN11SOAT1THRA | |
| SCHEMBL7879497 | 0.91 | HTR1A (0.37) | CYP3A4CYP2D6PTPN11SOAT1THRA | |
| SCHEMBL7877662 | 0.90 | CYP3A4 (0.39) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7871760 | 0.90 | CYP3A4 (0.39) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7875959 | 0.89 | CYP3A4 (0.39) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7879454 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7880089 | 0.88 | CYP3A4 (0.40) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7877660 | 0.88 | CYP3A4 (0.40) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8188519 | 0.87 | RAB9A (0.39) | CYP3A4CYP2D6RAB9ANPC1SMN1; SMN2 |
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 2 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 |