Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Pivalate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | FDPS | P14324 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL26125376 | 0.84 | TSHR (0.47) | TSHRALDH1A1LMNAFDPSCYP2C19 | |
| Phosphoric Acid SCHEMBL29779759 | 0.80 | SLC34A1 (0.42) | SLC34A1TSHRALDH1A1LMNAFDPS | |
| Phosphoric Acid SCHEMBL28049822 | 0.78 | SLC34A1 (0.64) | SLC34A1TSHRLMNACYP2C19KDM4E | |
| Tert-Butanol SCHEMBL31547889 | 0.78 | SLC34A1 (0.64) | SLC34A1TSHRALDH1A1LMNAFDPS | |
| Pivalate SCHEMBL4318862 | 0.77 | — | — | |
| Pivalate SCHEMBL5116637 | 0.77 | TSHR (0.61) | TSHRALDH1A1LMNACYP2C19CYP2D6 | |
| Pivalate SCHEMBL332912 | 0.77 | TSHR (0.61) | TSHRALDH1A1LMNACYP2C19CYP2D6 | |
| Pivalate SCHEMBL3613 | 0.77 | — | — | |
| Oxalic Acid SCHEMBL25381994 | 0.74 | SLC34A1 (0.69) | SLC34A1TSHRLMNACYP2C19KDM4E | |
| Oxalic Acid SCHEMBL28023593 | 0.74 | SLC34A1 (0.69) | SLC34A1TSHRLMNACYP2C19KDM4E |
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-107759460-A | A kind of method for preparing the more acid monomers of polyphenyls | 朱翠英 | 2018-03-06 | — | — | CN | disclosed |