Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
The experimentally established mechanism targets of Paraben. 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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.76 |
| ▸ | CA12 | O43570 | 1/20 | 0.76 |
| ▸ | CA1 | P00915 | 1/20 | 0.76 |
| ▸ | CA3 | P07451 | 1/20 | 0.76 |
| ▸ | TYR | P14679 | 1/20 | 0.76 |
| ▸ | DRD1 | P21728 | 1/20 | 0.76 |
| ▸ | CA4 | P22748 | 1/20 | 0.76 |
| ▸ | CA6 | P23280 | 1/20 | 0.76 |
| ▸ | CA5A | P35218 | 1/20 | 0.76 |
| ▸ | CA7 | P43166 | 1/20 | 0.76 |
| ▸ | CA9 | Q16790 | 1/20 | 0.76 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.76 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.76 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Adipic Acid SCHEMBL5792979 | 0.91 | CA12 (0.70) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL5608568 | 0.90 | CA2 (0.94) | CA2CA12CA1CA3TYR | |
| Terephthalic Acid SCHEMBL3902498 | 0.90 | TSHR (0.71) | CA2CA12CA1CA3TYR | |
| Sebacic Acid SCHEMBL11829854 | 0.89 | CA12 (0.67) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL5311518 | 0.87 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Terephthalic Acid SCHEMBL6692916 | 0.87 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL4110 | 0.87 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL7622776 | 0.87 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL20500516 | 0.87 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL28415200 | 0.87 | CA12 (0.64) | CA2CA12CA1CA3TYR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117500482-A | Plant extraction method | 奇华顿股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-108367562-A | The manufacturing method of laminated body and laminated body | DIC株式会社 | 2018-08-03 | — | — | CN | disclosed |
| EP-0462150-A1 | NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM. | LAEVOSAN GMBH & CO KG (AT) | 1991-12-27 | — | — | EP | disclosed |
| WO-1990010628-A1 | NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM | LAEVOSAN-GESELLSCHAFT MBH (AT) | 1990-09-20 | — | — | WO | disclosed |