Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Methyl Benzoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 16/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 16/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PRKCA | P17252 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28388934 | 0.93 | ALDH1A1 (0.64) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| Benzoic Acid SCHEMBL136510 | 0.93 | ALDH1A1 (0.64) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| Benzoic Acid SCHEMBL9956241 | 0.93 | ALDH1A1 (0.64) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| Benzoic Acid SCHEMBL7688676 | 0.93 | ALDH1A1 (0.64) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| SCHEMBL3391 | 0.88 | ALDH1A1 (0.70) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| SCHEMBL1866113 | 0.88 | ALDH1A1 (0.70) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| SCHEMBL1866116 | 0.88 | ALDH1A1 (0.70) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| Acetic Acid SCHEMBL28698833 | 0.86 | ALDH1A1 (0.64) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| SCHEMBL20515564 | 0.86 | ALDH1A1 (0.68) | ADRB2ADRB1ADRB3ALDH1A1TSHR | |
| SCHEMBL2788016 | 0.86 | MAPT (0.58) | ADRB2ADRB1ADRB3ALDH1A1PRKCA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115112456-A | Method for preparing liquid-based cell slice | 山西尚宁高科技医学检验中心(有限公司) | 2022-09-27 | — | — | CN | claimed |
| CN-115112456-A | Method for preparing liquid-based cell slice | 山西尚宁高科技医学检验中心(有限公司) | 2022-09-27 | — | — | CN | disclosed |