Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Gemcabene. 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 | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | ACACA | Q13085 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 5/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Gemcabene SCHEMBL528317 | 0.92 | CYP4F2 (0.36) | ACLYACACBACACAPPARALTB4R | |
| Gemcabene SCHEMBL761631 | 0.90 | ACLY (0.55) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL6258161 | 0.88 | ACLY (0.53) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL5531453 | 0.88 | ACLY (0.59) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL5524941 | 0.88 | ACLY (0.59) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL14269711 | 0.88 | ACLY (0.59) | ACLYACACBACACAPPARALTB4R | |
| Gemcabene SCHEMBL528316 | 0.88 | ACLY (0.53) | ACLYACACBACACAPPARALTB4R | |
| Gemcabene SCHEMBL4184554 | 0.88 | ACLY (0.53) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL6267270 | 0.86 | ACLY (0.52) | ACLYACACBACACAPPARALTB4R | |
| SCHEMBL5521484 | 0.86 | ACLY (0.57) | ACLYACACBACACAPPARALTB4R |
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-111704543-A | Process and intermediates for preparing alpha, omega-dicarboxylic acid terminated dialkyl ethers | 燿石治疗公司 | 2020-09-25 | — | — | CN | disclosed |