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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | TXN | P10599 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL626944 | 0.87 | — | — | |
| SCHEMBL2010779 | 0.75 | ALDH1A1 (0.39) | TXNRD1ALDH1A1SMN1; SMN2HTR1ATAAR1 | |
| SCHEMBL6694889 | 0.73 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL4686083 | 0.73 | TBXAS1 (0.36) | TXNRD1ALDH1A1SMN1; SMN2TBXAS1NPC1 | |
| Hydrochloric Acid SCHEMBL27594552 | 0.72 | L3MBTL1 (0.37) | CA1CA2TXNRD1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29868523 | 0.71 | — | — | |
| SCHEMBL4686081 | 0.71 | ALDH1A1 (0.34) | CA1CA2TXNRD1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4682206 | 0.70 | CA2 (0.36) | CA1CA2TXNRD1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4005242 | 0.70 | TXNRD1 (0.33) | TXNRD1ALDH1A1SMN1; SMN2TAAR1TXN | |
| SCHEMBL30821606 | 0.70 | L3MBTL1 (0.38) | CA1CA2TXNRD1ALDH1A1SMN1; SMN2 |
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-1053919-A | New imidazolium compounds, its preparation method and based on medicament and some intermediate product of these compounds | HOECHST AG (DE) | 1991-08-21 | — | — | CN | disclosed |