Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.42 |
| ▸ | WNT3A | P56704 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10943919 | 0.82 | CYP2C9 (0.48) | CYP2C9MAPTLMNAKCNH2L3MBTL1 | |
| SCHEMBL10943921 | 0.82 | CYP2C9 (0.48) | CYP2C9MAPTLMNAKCNH2L3MBTL1 | |
| SCHEMBL9631064 | 0.82 | DRD2 (0.41) | CYP2C9CES2CES1DRD2HTR2A | |
| SCHEMBL9631071 | 0.82 | DRD2 (0.41) | CYP2C9CES2CES1DRD2HTR2A | |
| SCHEMBL9631057 | 0.82 | DRD2 (0.41) | CYP2C9CES2CES1DRD2HTR2A | |
| Bromide SCHEMBL11096935 | 0.79 | MAOB (0.48) | KMT2AMEN1CES2CES1DRD2 | |
| SCHEMBL8727511 | 0.78 | CYP2C9 (0.43) | CYP2C9CES2CES1DRD2HTR2A | |
| SCHEMBL9503457 | 0.78 | CYP2C9 (0.41) | KMT2AMEN1CYP2C9CES2CES1 | |
| SCHEMBL9503452 | 0.78 | CYP2C9 (0.41) | KMT2AMEN1CYP2C9CES2CES1 | |
| SCHEMBL31149621 | 0.78 | HPGD (0.51) | KMT2AMEN1CYP2C9CYP2C19CES2 |
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-6013198-A | LIQUID CRYSTALLINE COMPOUNDS MODIFIED TO HAVE A TRIFLUOROMETHYLPHENYL GROUP OR TRIFLUOROMETHOXYPHENYL GROUP AS EXAMPLE OF KNOWN TERMINAL SUBSTITUENT; CHEMICAL STABILITY, HIGH VOLTAGE HOLDING RATIO, GOOD UV STABILITY | CHISSO CORPORATION (JP) | 2000-01-11 | — | — | US | disclosed |
| EP-0761799-A1 | Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device | Chisso Corporation (JP) | 1997-03-12 | — | — | EP | disclosed |