Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 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 SCHEMBL27389470 | 0.98 | TSHR (0.57) | TSHRSMN1; SMN2CNR2TDP1POLB | |
| Allylbenzene SCHEMBL11301260 | 0.88 | CNR2 (0.50) | TSHRSMN1; SMN2CNR2TDP1CYP2C8 | |
| Allylbenzene SCHEMBL44762 | 0.88 | CNR2 (0.50) | TSHRSMN1; SMN2CNR2TDP1CYP2C8 | |
| Allylbenzene SCHEMBL18040306 | 0.86 | CNR2 (0.49) | TSHRSMN1; SMN2CNR2TDP1CYP2C8 | |
| Allylbenzene SCHEMBL1681576 | 0.86 | CNR2 (0.49) | TSHRSMN1; SMN2CNR2TDP1CYP2C8 | |
| Allylbenzene SCHEMBL18040305 | 0.86 | CNR2 (0.49) | TSHRSMN1; SMN2CNR2TDP1CYP2C8 | |
| SCHEMBL87584 | 0.86 | TDP1 (0.55) | TSHRSMN1; SMN2CNR2TDP1POLB | |
| SCHEMBL4132583 | 0.85 | TDP1 (0.53) | TSHRSMN1; SMN2CNR2TDP1POLB | |
| Ammonia Solution, Strong SCHEMBL6669195 | 0.85 | TDP1 (0.53) | TSHRSMN1; SMN2CNR2TDP1POLB | |
| Allylbenzene SCHEMBL27290284 | 0.85 | CNR2 (0.51) | TSHRSMN1; SMN2CNR2TDP1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1906288-B | Novel acyl alkyl isethionates and use in consumer products | HUNTSMAN PETROCHEMICAL CORP. (US) | 2016-01-06 | — | — | CN | disclosed |
| US-8937054-B1 | Liquid-fertilizer ready formulations of bifenthrin | FMC CORPORATION (US) | 2015-01-20 | — | — | US | disclosed |
| CN-101533235-B | Gloss control particle, developer set, and image forming method | RICOH CO LTD | 2012-11-07 | — | — | CN | disclosed |
| CN-101533235-A | Gloss control particle, developer set, and image forming method | RICOH KK | 2009-09-16 | — | — | CN | disclosed |