Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13907278 | 0.82 | CYP2A6 (0.62) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL3796332 | 0.82 | CYP2A6 (0.67) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL1476884 | 0.76 | CYP2A6 (0.49) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL401836 | 0.76 | GRM5 (0.64) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL31673222 | 0.76 | GRM5 (0.64) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL1477031 | 0.74 | GRM5 (0.50) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL2806708 | 0.74 | MEN1 (0.55) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL31673182 | 0.74 | GRM5 (0.71) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL2806200 | 0.74 | CYP2A6 (0.50) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL1477185 | 0.74 | GRM5 (0.50) | GRM5CYP2A6CYP2D6CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016108489-A1 | NOVEL RUTHENIUM COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT | 울산대학교 산학협력단 | 2016-07-07 | — | — | WO | disclosed |