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 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 SCHEMBL1563634 | 0.96 | CNR2 (0.53) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL27723013 | 0.96 | CNR2 (0.53) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL5953426 | 0.96 | CNR2 (0.53) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL9364455 | 0.85 | CNR2 (0.50) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL10522060 | 0.85 | CNR2 (0.50) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL44762 | 0.85 | CNR2 (0.50) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL11301260 | 0.85 | CNR2 (0.50) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL28186941 | 0.85 | CNR2 (0.48) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL29099792 | 0.85 | CNR2 (0.51) | CNR2MAOBCYP2C8CYP2C9CYP2C19 | |
| Allylbenzene SCHEMBL169220 | 0.84 | MAOB (0.55) | CNR2MAOBCYP2C8CYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5003032-A | — | — | None | — | — | JP | disclosed |
| JP-H053032-A | ALKALINE STORAGE BATTERY | TOSHIBA BATTERY CO LTD | 1993-01-08 | — | — | JP | disclosed |