Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Allylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Allylbenzene SCHEMBL27723013 | 0.89 | CNR2 (0.53) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL9502665 | 0.85 | CNR2 (0.53) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| SCHEMBL4132579 | 0.85 | CNR2 (0.45) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL1563634 | 0.85 | CNR2 (0.53) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL5953426 | 0.85 | CNR2 (0.53) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL16384682 | 0.80 | TSHR (0.59) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL10522060 | 0.79 | CNR2 (0.50) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Allylbenzene SCHEMBL11301260 | 0.79 | CNR2 (0.50) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 | |
| Propene SCHEMBL1155218 | 0.79 | HTR6 (0.42) | HTR6PSIP1ALDH1A1TP53TSHR | |
| Allylbenzene SCHEMBL44762 | 0.79 | CNR2 (0.50) | CNR2CYP2C8CYP2C9CYP2C19CYP2C18 |
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-115615133-A | Cooling device for manufacturing antirust lubricating oil and manufacturing method thereof | 关飘 | 2023-01-17 | — | — | CN | disclosed |