Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.47 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28123191 | 1.00 | PPARA (0.50) | PPARAACHEBACE1TSHRTP53 | |
| Sorbic Acid SCHEMBL10891442 | 0.89 | PPARA (0.44) | PPARAACHEBACE1TSHRTP53 | |
| Fumaric Acid SCHEMBL7836361 | 0.87 | TSHR (0.64) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL4348837 | 0.87 | TSHR (0.64) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL30425683 | 0.87 | TSHR (0.64) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL5666235 | 0.87 | TSHR (0.64) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL8172317 | 0.84 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL8071716 | 0.84 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL27732721 | 0.84 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL28692589 | 0.84 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 |
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-106467466-A | A kind of preparation method of cyclohexene-Isosorbide-5-Nitrae-dicarboxylate | 中国科学院大连化学物理研究所 | 2017-03-01 | — | — | CN | disclosed |