Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.45 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.45 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.45 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30728873 | 0.87 | HTR7 (0.43) | HTR7ABCB1ABCC1BRD4CYP1A2 | |
| SCHEMBL8279410 | 0.83 | MGAT2 (0.57) | HTR7ABCB1ABCC1BRD4CYP1A2 | |
| Hydrochloric Acid SCHEMBL12490805 | 0.82 | MGAT2 (0.56) | HTR7ABCB1ABCC1BRD4CYP1A2 | |
| SCHEMBL2020140 | 0.82 | ABL1 (0.59) | ABCB1BRD4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1715907 | 0.81 | IDO1 (0.54) | HTR7ABCB1ABCC1BRD4LMNA | |
| SCHEMBL8281062 | 0.81 | HTR7 (0.52) | HTR7ABCB1ABCC1BRD4CYP1A2 | |
| SCHEMBL952649 | 0.81 | HTR7 (0.49) | HTR7ABCB1ABCC1BRD4CYP1A2 | |
| SCHEMBL17295958 | 0.81 | ABCB1 (0.52) | HTR7ABCB1ABCC1BRD4LMNA | |
| SCHEMBL6048529 | 0.81 | BACE1 (0.58) | HTR7ABCB1ABCC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6048554 | 0.80 | BACE1 (0.57) | HTR7ABCB1ABCC1CYP1A2CYP3A4 |
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-107628925-A | A kind of preparation method of 2 phenyl halogenation methylbenzene and its derivative | 中国石油化工股份有限公司 | 2018-01-26 | — | — | CN | disclosed |