Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Glutaral. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.83 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Glutaral SCHEMBL28228290 | 0.92 | HIF1A (0.83) | HIF1ATSHRTRPV1ALDH1A1FAAH | |
| Glutaral SCHEMBL28161486 | 0.92 | — | — | |
| Glutaral SCHEMBL27663248 | 0.92 | — | — | |
| Glutaral SCHEMBL836 | 0.91 | — | — | |
| Glutaral SCHEMBL1285455 | 0.91 | HIF1A (1.00) | HIF1ATSHRTRPV1ALDH1A1FAAH | |
| Glutaral SCHEMBL23631391 | 0.87 | — | — | |
| Glutaral SCHEMBL845792 | 0.87 | — | — | |
| Glutaral SCHEMBL1842399 | 0.87 | — | — | |
| Glutaral SCHEMBL8386286 | 0.87 | — | — | |
| Glutaral SCHEMBL22799073 | 0.87 | — | — |
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-108238596-A | A kind of doping type carbon aerogels material and preparation method and application | 国家纳米科学中心 | 2018-07-03 | — | — | CN | disclosed |