Known targets — ChEMBL curated mechanism
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
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 SCHEMBL27791440 | 1.00 | TDP1 (0.56) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Pivalate SCHEMBL6871775 | 0.95 | TDP1 (0.50) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Pivalate SCHEMBL28740235 | 0.86 | ALDH1A1 (0.53) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Propylene Glycol SCHEMBL4029955 | 0.84 | TDP1 (0.50) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Propylene Glycol SCHEMBL1171147 | 0.84 | TDP1 (0.50) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Propylene Glycol SCHEMBL320017 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL4337036 | 0.82 | TDP1 (0.71) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Propylene Glycol SCHEMBL29352119 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL28574118 | 0.82 | TDP1 (0.71) | TDP1OR51E2TSHRALDH1A1TP53 | |
| Trifluoroacetic Acid SCHEMBL13737583 | 0.81 | TDP1 (0.53) | TDP1OR51E2TSHRALDH1A1TP53 |
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-113543853-A | Emulsion cosmetic for self-tanning | 株式会社资生堂 | 2021-10-22 | — | — | CN | disclosed |