Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL91877 | 0.82 | PTGDR2 (0.32) | — | |
| SCHEMBL91715 | 0.81 | SLC6A2 (0.32) | ESR1ESR2ERN1AR | |
| SCHEMBL91734 | 0.81 | AR (0.35) | ESR1ESR2HSD17B1HSD17B2AR | |
| SCHEMBL91839 | 0.81 | FFAR4 (0.33) | ESR1ESR2ERN1HSD17B1HSD17B2 | |
| SCHEMBL91750 | 0.80 | KMT2A (0.39) | ESR1CYP1A2KDM4EALDH1A1LMNA | |
| SCHEMBL12433464 | 0.79 | LMNA (0.53) | CYP1A2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL91791 | 0.77 | KIF11 (0.35) | ESR1ESR2ERN1CYP1A2CYP2C19 | |
| SCHEMBL91700 | 0.73 | S1PR1 (0.43) | HSD17B1HSD17B2AR | |
| SCHEMBL6382158 | 0.72 | ALDH1A1 (0.40) | CYP1A2CYP3A4ALDH1A1CYP2A6MAPT | |
| SCHEMBL1133428 | 0.71 | MAPT (0.48) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |