Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | 4/20 | 0.84 |
| ▸ | CA1 | P00915 | 3/20 | 0.84 |
| ▸ | CA12 | O43570 | 1/20 | 0.84 |
| ▸ | CA3 | P07451 | 1/20 | 0.84 |
| ▸ | TYR | P14679 | 1/20 | 0.84 |
| ▸ | DRD1 | P21728 | 1/20 | 0.84 |
| ▸ | CA4 | P22748 | 1/20 | 0.84 |
| ▸ | CA6 | P23280 | 1/20 | 0.84 |
| ▸ | CA5A | P35218 | 1/20 | 0.84 |
| ▸ | CA7 | P43166 | 1/20 | 0.84 |
| ▸ | CA9 | Q16790 | 1/20 | 0.84 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.84 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.84 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.73 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Paraben SCHEMBL15948950 | 1.00 | CA2 (0.84) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL2838755 | 0.95 | CA2 (0.94) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL31283611 | 0.95 | CA2 (0.94) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL1756156 | 0.95 | CA2 (0.94) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL1756187 | 0.95 | CA2 (0.94) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL4110 | 0.92 | CA2 (1.00) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL7622776 | 0.92 | CA2 (1.00) | CA2CA1CA12CA3TYR | |
| Paraben SCHEMBL20500516 | 0.92 | CA2 (1.00) | CA2CA1CA12CA3TYR | |
| Terephthalic Acid SCHEMBL6692916 | 0.92 | CA2 (1.00) | CA2CA1CA12CA3TYR | |
| Terephthalic Acid SCHEMBL3460105 | 0.92 | CA2 (1.00) | CA2CA1CA12CA3TYR |
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 |
|---|---|---|---|---|---|---|---|
| US-9173391-B2 | Crystalline complexes of 4-hydroxy benzoic acid and selected pesticides | BASF SE (DE) | 2015-11-03 | — | — | US | disclosed |
| EP-2496077-B1 | CRYSTALLINE COMPLEXES OF 4-HYDROXY BENZOIC ACID AND SELECTED PESTICIDES | BASF SE (DE) | 2014-08-20 | — | — | EP | disclosed |