Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL16393627 | 0.82 | BRD4 (0.51) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL28893948 | 0.81 | BRD4 (0.40) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| Methyl Alcohol SCHEMBL27626456 | 0.81 | BRD4 (0.51) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| Ammonia Solution, Strong SCHEMBL27714733 | 0.81 | BRD4 (0.50) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| Hydrogen Sulfide SCHEMBL27539552 | 0.81 | BRD4 (0.50) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL28228917 | 0.79 | PTGS2 (0.56) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL10789751 | 0.79 | PTGS2 (0.60) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL29433489 | 0.79 | PTGS2 (0.60) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL28424076 | 0.79 | BRD4 (0.39) | BRD4PTGS2ADRA2AADRA1DADRA1A | |
| SCHEMBL28044808 | 0.78 | BRD4 (0.49) | BRD4PTGS2ADRA2AADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111423891-A | Synthesis method of 4- (trans-3-pentene) -4' -alkylcyclohexyl biphenyl liquid crystal compound | 西安瑞联新材料股份有限公司 | 2020-07-17 | — | — | CN | disclosed |