Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28807803 | 0.86 | CA2 (0.68) | CA1CA2CA12CYP3A4KMT2A | |
| SCHEMBL28807804 | 0.81 | CA1 (0.59) | CA1CA2KMT2AMAPTGAA | |
| SCHEMBL29803178 | 0.80 | CA12 (0.58) | CA1CA2ATML3MBTL1CA12 | |
| Benzyl Alcohol SCHEMBL1870759 | 0.77 | TSHR (0.52) | CA1CA2ATML3MBTL1CA12 | |
| SCHEMBL4200394 | 0.77 | CA12 (0.54) | CA1CA2ATML3MBTL1CA12 | |
| N-Benzylmethylamine SCHEMBL20239926 | 0.76 | CYP3A4 (0.59) | ATML3MBTL1CA12CYP1A2CYP3A4 | |
| SCHEMBL28338890 | 0.74 | L3MBTL1 (0.58) | ATML3MBTL1CA12CYP1A2CYP3A4 | |
| SCHEMBL13731468 | 0.74 | MAPT (0.52) | CA1CA2ATML3MBTL1CA12 | |
| SCHEMBL28958210 | 0.73 | KMT2A (0.50) | CA1CA2ATML3MBTL1CA12 | |
| SCHEMBL10806824 | 0.73 | MAOA (0.53) | CA1CA2ATML3MBTL1CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114573530-B | Preparation method of biomass alcohol ionic liquid | 山东农业大学 | 2023-07-28 | — | — | CN | disclosed |
| CN-114573530-A | Preparation method of biomass alcohol ionic liquid | 山东农业大学 | 2022-06-03 | — | — | CN | disclosed |