Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL27851090 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL28255434 | 0.86 | TSHR (0.47) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL6900876 | 0.86 | TSHR (0.47) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL29138458 | 0.86 | TSHR (0.47) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL4318862 | 0.84 | — | — | |
| Pivalate SCHEMBL5116637 | 0.84 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL332912 | 0.84 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL3613 | 0.84 | — | — | |
| Pivalate SCHEMBL28338144 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL27623020 | 0.83 | TSHR (0.44) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5576458-A | ALCOHOL REACTED WITH CARBON MONOXIDE USING A RHODIUM CATALYST | CHIYODA CORPORATION (JP) | 1996-11-19 | — | — | US | disclosed |