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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL1465305 | 1.00 | TSHR (0.41) | TSHRLMNAKMT2ANMT1CES2 | |
| Potassium Ion SCHEMBL7513503 | 0.95 | TSHR (0.41) | TSHRLMNAKMT2ANMT1CES2 | |
| Lithium Ion SCHEMBL7518786 | 0.95 | TSHR (0.41) | TSHRLMNAKMT2ANMT1CES2 | |
| SCHEMBL1583998 | 0.82 | TSHR (0.38) | TSHRLMNAKMT2ANMT1ALDH1A1 | |
| SCHEMBL11859111 | 0.82 | G6PD (0.42) | G6PDALDH1A1TDP1 | |
| SCHEMBL345543 | 0.73 | TSHR (0.43) | TSHRLMNAKMT2ACES2CES1 | |
| SCHEMBL10663953 | 0.73 | TP53 (0.42) | TSHRKMT2ANMT1ALDH1A1MEN1 | |
| SCHEMBL30313474 | 0.73 | TP53 (0.42) | TSHRKMT2ANMT1ALDH1A1MEN1 | |
| SCHEMBL2932976 | 0.71 | HTR2A (0.35) | KMT2ACES2CES1G6PDALDH1A1 | |
| SCHEMBL7513507 | 0.71 | TSHR (0.41) | TSHRLMNAKMT2ACES2CES1 |
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-110357842-B | Fluoroalkyl substituted furan compound and preparation method thereof | 南京工业大学 | 2022-12-16 | — | — | CN | claimed |
| CN-111233600-B | Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone | 成都理工大学 | 2022-08-05 | — | — | CN | claimed |
| CN-117946101-A | Aryl methyl sulfone compound and synthesis method thereof | 中国人民解放军军事科学院防化研究院 | 2024-04-30 | — | — | CN | disclosed |
| CN-110357842-B | Fluoroalkyl substituted furan compound and preparation method thereof | 南京工业大学 | 2022-12-16 | — | — | CN | disclosed |