Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12113646 | 1.00 | ESR1 (0.41) | ESR1THRBTHRAL3MBTL1MCHR1 | |
| SCHEMBL16852417 | 0.98 | L3MBTL1 (0.39) | ESR1THRBTHRAL3MBTL1MCHR1 | |
| SCHEMBL16852418 | 0.94 | CYP1A2 (0.39) | ESR1L3MBTL1MCHR1TLR8MAPT | |
| SCHEMBL14211798 | 0.94 | ESR1 (0.44) | ESR1THRBTHRAL3MBTL1MAPT | |
| SCHEMBL1311965 | 0.92 | L3MBTL1 (0.43) | ESR1THRBTHRAL3MBTL1MCHR1 | |
| SCHEMBL14211797 | 0.92 | L3MBTL1 (0.43) | ESR1THRBTHRAL3MBTL1MCHR1 | |
| SCHEMBL16852422 | 0.89 | AAK1 (0.38) | L3MBTL1MCHR1TLR8MAPTMEN1 | |
| SCHEMBL14211796 | 0.87 | CYP2C19 (0.43) | ESR1L3MBTL1MCHR1TLR8MAPT | |
| SCHEMBL10302200 | 0.86 | PTPN11 (0.37) | ESR1PTPN11CNR1CNR2S1PR2 | |
| SCHEMBL16855833 | 0.85 | CYP1A2 (0.44) | ESR1L3MBTL1MCHR1TLR8NR5A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951274-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2018-04-24 | — | — | US | disclosed |
| US-20150175884-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |