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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | AGER | Q15109 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16975315 | 0.93 | ALDH1A1 (0.50) | GAAAGERALDH1A1SMN1; SMN2LMNA | |
| Fluoromethane SCHEMBL20577007 | 0.91 | GAA (0.56) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL5068661 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL1705904 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL29991938 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL11432043 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| P-Xylene SCHEMBL8660591 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL31313 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL34 | 0.91 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL11676297 | 0.88 | GAA (0.54) | GAAALDH1A1SMN1; SMN2LMNATDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372565-A | The acylated fluoroform seleno difunctionality dough method of the N- of indole derivatives | 武汉理工大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-105801459-B | The method that one kettle way prepares aryl sulfonic acid fluoroform thioesters series compound | 嘉兴学院 | 2017-07-14 | — | — | CN | disclosed |
| CN-105801459-A | One-pot method of preparing aryl sulfonic fluoroform thioester series compounds through one-pot method | 嘉兴学院 | 2016-07-27 | — | — | CN | disclosed |
| CN-105555766-A | Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |
| CN-104603127-A | Complement pathway modulators and uses thereof | NOVARTIS AG | 2015-05-06 | — | — | CN | disclosed |