Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.91 |
| ▸ | RAB9A | P51151 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.62 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.62 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.62 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.62 |
| ▸ | F2 | P00734 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
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 SCHEMBL27765981 | 0.95 | TSHR (0.91) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28280659 | 0.95 | TSHR (0.91) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL7200 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29039896 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29831725 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1332323 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28537345 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28945661 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1867855 | 0.95 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29105567 | 0.95 | 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-109776504-A | A kind of metal-organic framework material and preparation method and applications based on low symmetrical pyrazoles-Carboxylic acid ligand Zn | 北京工业大学 | 2019-05-21 | — | — | CN | claimed |