Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947951 | 1.00 | RAB9A (0.51) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL6951208 | 0.89 | RAB9A (0.42) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL7080996 | 0.89 | RAB9A (0.42) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL6944139 | 0.87 | SOAT1 (0.41) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL6956433 | 0.87 | NR5A1 (0.45) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL7879470 | 0.87 | CYP3A4 (0.45) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL6950774 | 0.87 | NR5A1 (0.45) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL7882425 | 0.87 | CYP3A4 (0.45) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL7882597 | 0.87 | CYP3A4 (0.45) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL9617079 | 0.85 | RARB (0.57) | RAB9AKDM4ENPC1SMN1; SMN2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639189-B1 | PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2003-02-19 | — | — | EP | disclosed |