Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Ethylparaben. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.77 |
| ▸ | CA12 | O43570 | 4/20 | 0.77 |
| ▸ | CA1 | P00915 | 4/20 | 0.77 |
| ▸ | CA2 | P00918 | 4/20 | 0.77 |
| ▸ | CA7 | P43166 | 4/20 | 0.77 |
| ▸ | CA9 | Q16790 | 4/20 | 0.77 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.77 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Ethylparaben SCHEMBL7073652 | 0.95 | CA12 (0.85) | ESR1CA12CA1CA2CA7 | |
| Benzoic Acid SCHEMBL29135370 | 0.93 | SMN1; SMN2 (0.66) | ESR1CA12CA1CA2CA7 | |
| Terephthalic Acid SCHEMBL29135372 | 0.93 | SMN1; SMN2 (0.66) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28306600 | 0.93 | ESR1 (0.81) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28306601 | 0.93 | ESR1 (0.81) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28942331 | 0.91 | ESR1 (0.85) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL18954181 | 0.91 | LMNA (0.63) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28326875 | 0.91 | ESR1 (0.92) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28441479 | 0.91 | LMNA (0.63) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28226478 | 0.91 | LMNA (0.63) | ESR1CA12CA1CA2CA7 |
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-114949073-A | Application of Xuefu Zhuyu preparation in preparation of medicine for preventing and treating post-stroke hyperalgesia | 天津宏仁堂药业有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-113398180-A | Application of Xuefu Zhuyu preparation in preparation of post-stroke pain-sensation abnormality medicine for brain injury | 天津宏仁堂药业有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113350424-A | Application of zixue prescription in preparation of medicine for promoting severe brain injury and waking up | 天津宏仁堂药业有限公司 | 2021-09-07 | — | — | CN | disclosed |