Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.54 |
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.54 |
| ▸ | 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 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 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 SCHEMBL28211382 | 0.96 | TSHR (0.83) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28197300 | 0.94 | TSHR (0.79) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL10807981 | 0.92 | TSHR (0.76) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL27911579 | 0.92 | TSHR (0.76) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1867855 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1332323 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL7200 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28537345 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28945661 | 0.91 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29105567 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4021436-A1 | PERIPHERAL NERVE AGONISTS SUPPRESS INFLAMMATION | University of Pittsburgh - of the Commonwealth System of Higher Education (US) | 2022-07-06 | — | — | EP | disclosed |
| WO-2021041662-A1 | PERIPHERAL NERVE AGONISTS SUPPRESS INFLAMMATION | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2021-03-04 | — | — | WO | disclosed |