Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL8947291 | 0.85 | TSHR (0.65) | TP53TSHRALDH1A1MAPTPTGS1 | |
| Pivalate SCHEMBL537300 | 0.84 | ALDH1A1 (0.44) | TP53TSHRALDH1A1MAPTPTGS1 | |
| Lactic Acid SCHEMBL27528609 | 0.84 | TP53 (0.73) | TP53TSHRALDH1A1MAPTPTGS1 | |
| D-Lactic Acid SCHEMBL14947 | 0.83 | — | — | |
| L-Lactic Acid SCHEMBL13165963 | 0.83 | — | — | |
| Lactic Acid SCHEMBL5189465 | 0.83 | TP53 (1.00) | TP53TSHRALDH1A1SLC7A5 | |
| Lactic Acid SCHEMBL1412661 | 0.83 | TP53 (1.00) | TP53TSHRALDH1A1SLC7A5 | |
| Lactic Acid SCHEMBL9066423 | 0.83 | TP53 (1.00) | TP53TSHRALDH1A1SLC7A5 | |
| L-Lactic Acid SCHEMBL16958 | 0.83 | — | — | |
| Lactic Acid SCHEMBL9066424 | 0.83 | — | — |
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-4192926-A | Polyhydroxyl compounds containing acyl urea groups | BAYER AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | disclosed |
| US-4172936-A | Polyhydroxyl compounds containing acyl urea groups useful in preparation of polyurethane foams | BAYER AKTIENGESELLSCHAFT (DE) | 1979-10-30 | — | — | US | disclosed |