Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 4/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL2153491 | 0.85 | TYR (0.46) | CYP2D6CYP2C9HIF1ALMNATYR | |
| SCHEMBL1305142 | 0.85 | TSHR (0.48) | HIF1ALMNATSHRTP53TYR | |
| SCHEMBL548066 | 0.83 | TSHR (0.50) | CYP2D6CYP2C9HIF1AGRIA4NR1H4 | |
| Hydrogen Peroxide SCHEMBL28795529 | 0.79 | CYP2C9 (0.57) | CYP2D6CYP2C9HIF1AGRIA4NR1H4 | |
| Hydrogen Peroxide SCHEMBL2387288 | 0.79 | CYP2C9 (0.57) | CYP2D6CYP2C9HIF1AGRIA4NR1H4 | |
| SCHEMBL2154340 | 0.78 | TYR (0.40) | CYP2D6CYP2C9HIF1ALMNATYR | |
| SCHEMBL2154718 | 0.78 | L3MBTL1 (0.42) | LMNATSHRTYRALDH1A1EPHX1 | |
| SCHEMBL4618041 | 0.73 | ALDH1A1 (0.56) | CYP2D6CYP2C9HIF1AGRIA4LMNA | |
| SCHEMBL25450061 | 0.72 | CYP2D6 (0.41) | CYP2D6CYP2C9HIF1AGRIA4NR1H4 | |
| SCHEMBL1265568 | 0.72 | NR1H4 (0.49) | CYP2D6CYP2C9HIF1AGRIA4NR1H4 |
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-1452537-B1 | PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-05 | — | — | EP | disclosed |