Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CLK1 | P49759 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17082248 | 0.90 | ESR1 (0.33) | GAAPKM | |
| SCHEMBL17082250 | 0.90 | ALDH1A1 (0.39) | ALDH1A1LMNAROCK1PKMHTT | |
| SCHEMBL17082252 | 0.87 | ESR1 (0.34) | ALDH1A1LMNAROCK1GAAPKM | |
| SCHEMBL17082257 | 0.83 | MEN1 (0.34) | ALDH1A1LMNAROCK1CYP3A4CYP2C19 | |
| SCHEMBL19336699 | 0.82 | ALDH1A1 (0.37) | ALDH1A1LMNAROCK1PKMHTT | |
| SCHEMBL17952992 | 0.82 | ALDH1A1 (0.37) | ALDH1A1LMNAROCK1PKMHTT | |
| SCHEMBL17082245 | 0.81 | DRD2 (0.32) | CYP3A4CYP2C19 | |
| SCHEMBL17082293 | 0.80 | ALDH1A1 (0.37) | ALDH1A1ROCK1 | |
| SCHEMBL17082287 | 0.79 | HTR1A (0.31) | — | |
| SCHEMBL17082262 | 0.77 | ESR1 (0.33) | LMNAGAA |
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-2918591-A1 | NOVEL LIGAND COMPOUND, PREPARATION METHOD THEREFOR, TRANSITION METAL COMPOUND, AND PREPARATION METHOD THEREFOR | LG Chem, Ltd. (KR) | 2015-09-16 | — | — | EP | disclosed |