Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| SCHEMBL17082249 | 0.90 | ALDH1A1 (0.38) | PKMGAA | |
| SCHEMBL17082252 | 0.89 | ESR1 (0.34) | ESR1PKMTSHRGAASMN1; SMN2 | |
| SCHEMBL17082287 | 0.89 | HTR1A (0.31) | ESR1RXRARXRBRXRG | |
| SCHEMBL17082262 | 0.86 | ESR1 (0.33) | ESR1GAASMN1; SMN2RXRARXRB | |
| SCHEMBL17082259 | 0.84 | TSHR (0.33) | ESR1PKMHPGDTSHRNPSR1 | |
| SCHEMBL19336702 | 0.83 | PKM (0.35) | ESR1PKMHPGDTSHRNPSR1 | |
| SCHEMBL17952986 | 0.83 | RXRA (0.33) | ESR1PKMHPGDTSHRNPSR1 | |
| SCHEMBL17082245 | 0.83 | DRD2 (0.32) | NPSR1SMN1; SMN2 | |
| SCHEMBL17082250 | 0.80 | ALDH1A1 (0.39) | PKMHPGDNPSR1 | |
| SCHEMBL17082258 | 0.79 | — | — |
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 |