Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethyl Benzoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 7/20 | 0.57 |
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA9 | Q16790 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | STS | P08842 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6502299 | 0.86 | KMT2A (0.78) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Benzocaine SCHEMBL27954077 | 0.82 | LMNA (0.77) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Ethyl Benzoate SCHEMBL30886688 | 0.81 | LMNA (0.68) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Sulfanilamide SCHEMBL9978345 | 0.80 | CA2 (0.57) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Ethyl Benzoate SCHEMBL27277000 | 0.79 | LMNA (0.66) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Benzocaine SCHEMBL25100 | 0.79 | LMNA (1.00) | LMNACYP1A2CYP3A4MAOACA2 | |
| Benzocaine SCHEMBL1235972 | 0.79 | LMNA (1.00) | LMNACYP1A2CYP3A4MAOACA2 | |
| Ethyl Benzoate SCHEMBL25388294 | 0.79 | LMNA (0.70) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Ethyl Benzoate SCHEMBL2762273 | 0.79 | LMNA (0.70) | LMNACYP1A2CYP3A4MAOAMEN1 | |
| Ethyl Benzoate SCHEMBL55674 | 0.79 | LMNA (0.70) | LMNACYP1A2CYP3A4MAOAMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114751868-B | Diaryl substituted triazole acetic acid compound, and preparation method and application thereof | 山东理工大学 | 2024-04-12 | — | — | CN | claimed |
| CN-114751868-B | Diaryl substituted triazole acetic acid compound, and preparation method and application thereof | 山东理工大学 | 2024-04-12 | — | — | CN | disclosed |
| CN-114751868-B | Diaryl substituted triazole acetic acid compound, and preparation method and application thereof | 山东理工大学 | 2024-04-12 | — | — | CN | disclosed |