Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 4/20 | 0.43 |
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2591113 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL2591709 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL27182799 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL124443 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL6836035 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL2588569 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| Methane SCHEMBL1953352 | 0.93 | PPARA (0.57) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL127011 | 0.93 | PPARA (0.56) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL126799 | 0.86 | CA1 (0.61) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL4450091 | 0.85 | PPARA (0.67) | PPARACA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116375575-B | Palladium acetate and preparation method of compound thereof | 安徽泽升科技股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116375575-A | Palladium acetate and preparation method of compound thereof | 安徽泽升科技有限公司 | 2023-07-04 | — | — | CN | disclosed |