Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F
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 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Malic Acid SCHEMBL28829049 | 0.90 | SMN1; SMN2 (0.68) | CA2CA12CA1CA3TYR | |
| Malic Acid SCHEMBL7300885 | 0.85 | SMN1; SMN2 (0.60) | SMN1; SMN2SRD5A2KMOTP53TSHR | |
| Terephthalic Acid SCHEMBL28003640 | 0.84 | SMN1; SMN2 (0.54) | SMN1; SMN2SRD5A2KMOTP53TSHR | |
| Malic Acid SCHEMBL8967510 | 0.80 | SRD5A2 (0.59) | CA2CA1SMN1; SMN2SRD5A2MEN1 | |
| Malic Acid SCHEMBL31489076 | 0.77 | SMN1; SMN2 (0.83) | SMN1; SMN2KMOLMNA | |
| Paraben SCHEMBL4110 | 0.77 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL20500516 | 0.77 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Terephthalic Acid SCHEMBL6692916 | 0.77 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL7622776 | 0.77 | CA2 (1.00) | CA2CA12CA1CA3TYR | |
| Paraben SCHEMBL5311518 | 0.77 | CA2 (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104203965-B | Complexes of germanium with amino acids and carboxylic acids and method for preparing same | WDS医药有限责任公司 | 2017-05-17 | — | — | CN | disclosed |