Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28019000 | 0.94 | CYP2C9 (0.43) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL6410601 | 0.88 | CYP2C9 (0.40) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10450963 | 0.86 | TLR4 (0.47) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL4159289 | 0.86 | LMNA (0.50) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10450965 | 0.86 | TLR4 (0.47) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10797749 | 0.86 | LMNA (0.50) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10485928 | 0.86 | TLR4 (0.47) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10705072 | 0.86 | TLR4 (0.47) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL1310398 | 0.86 | LMNA (0.50) | TLR4CYP2C9POLBHPGDMAPT | |
| SCHEMBL10797746 | 0.86 | LMNA (0.50) | TLR4CYP2C9POLBHPGDMAPT |
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-9028714-B2 | Liquid crystal compound preparation and application | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2015-05-12 | — | — | US | disclosed |