Known targets — ChEMBL curated mechanism
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
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.83 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL23044121 | 0.96 | TSHR (0.83) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL10807981 | 0.92 | TSHR (0.76) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL27911579 | 0.92 | TSHR (0.76) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29105567 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29831725 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28537345 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1867855 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1332323 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29039896 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL7200 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 |
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-107980066-A | Anticancer patience diagnosis novel biomarker and application thereof of cancer of bile ducts | 高伟生命科技株式会社 | 2018-05-01 | — | — | CN | disclosed |