Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MASP2 | O00187 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28171616 | 0.98 | L3MBTL1 (0.64) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| Water SCHEMBL31425697 | 0.98 | L3MBTL1 (0.64) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL5080749 | 0.96 | L3MBTL1 (0.66) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL22494203 | 0.82 | L3MBTL1 (0.72) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL330024 | 0.81 | L3MBTL1 (0.70) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL935551 | 0.79 | L3MBTL1 (1.00) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL830431 | 0.79 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL31314987 | 0.79 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL31255344 | 0.79 | L3MBTL1 (1.00) | L3MBTL1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL29815201 | 0.79 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1TP53NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066389-B | Ionic monomer containing benzo-heterocycle sulfonate structure, flame-retardant anti-dripping ionomer using ionic monomer, and preparation methods and applications of ionic monomer and ionomer | 四川大学 | 2022-03-15 | — | — | CN | disclosed |
| CN-111417705-B | Fabric care composition comprising a silicone material | 美国陶氏有机硅公司 | 2022-01-25 | — | — | CN | disclosed |
| CN-111417705-A | Fabric care composition comprising a silicone material | 美国陶氏有机硅公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-108794803-A | A kind of supermolecule is total to the preparation method of intercalation configuration anti-light aging material | 北京化工大学 | 2018-11-13 | — | — | CN | disclosed |