Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL5013836 | 0.87 | CYP2C19 (0.39) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL6927504 | 0.81 | KIF11 (0.42) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL5240009 | 0.80 | CYP2C19 (0.42) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL8804043 | 0.77 | KIF11 (0.38) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL4249887 | 0.77 | TAAR1 (0.46) | CYP2C19CYP3A4TSHRCYP2D6HIF1A | |
| SCHEMBL5008800 | 0.77 | TSHR (0.40) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL28039062 | 0.76 | ALDH1A1 (0.35) | CYP2C19TSHRKIF11CYP2D6HSD17B10 | |
| SCHEMBL5013862 | 0.76 | TSHR (0.42) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL3003485 | 0.76 | CYP3A4 (0.42) | CYP2C19CYP3A4TSHRKIF11CYP2D6 | |
| SCHEMBL28039341 | 0.75 | ALDH1A1 (0.34) | CYP2C19TSHRKIF11CYP2D6HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962832-A2 | COMBINATIONS OF A QUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA | Takeda Pharmaceutical Company Limited (JP) | 2008-09-03 | — | — | EP | disclosed |
| US-20080207864-A1 | Organosilanes, Process For Production of the Same, and Use Thereof | SHARP KABUSHIKI KAISHA (JP) | 2008-08-28 | — | — | US | disclosed |
| WO-2006129859-A2 | COMBINATIONS OF A SQUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-12-07 | — | — | WO | disclosed |