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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.47 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27780773 | 0.89 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL29378762 | 0.89 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL57184 | 0.89 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| Acetone SCHEMBL28335712 | 0.87 | ALDH1A1 (0.81) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| Ammonia Solution, Strong SCHEMBL8944844 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL28264950 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL28300398 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL28207718 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL28158963 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| Hydrochloric Acid SCHEMBL27836169 | 0.87 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRHPRT1CASP6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107540553-B | Method for preparing 1-naphthylamine by catalytic hydrogenation of 1-nitronaphthalene | 南京大学 | 2020-04-24 | — | — | CN | disclosed |
| CN-103864637-B | A kind of N-(β-4-nitro alkyl) preparation method of amides | XIHUA UNIVERSITY (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-103864637-A | Preparation method of N-(beta-nitrylalkyl) amide compounds | UNIV XIHUA | 2014-06-18 | — | — | CN | disclosed |