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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1583760 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28421820 | 0.96 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL5409302 | 0.85 | NR4A1 (0.35) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL21314248 | 0.79 | KDM4E (0.49) | ALDH1A1HSD17B10TSHRTDP1CYP1A2 | |
| Tetrabuthylammonium SCHEMBL1823067 | 0.79 | KDM4E (0.37) | ALDH1A1TDP1CYP1A2HPGDCYP2C9 | |
| SCHEMBL11859111 | 0.78 | G6PD (0.42) | ALDH1A1TDP1CA2KDM4E | |
| SCHEMBL6967551 | 0.77 | CYP3A4 (0.49) | TSHRCYP1A2CYP3A4HIF1ACYP2C9 | |
| SCHEMBL19975211 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL11414091 | 0.76 | RAB9A (0.38) | ALDH1A1HSD17B10TDP1HPGDCA1 | |
| SCHEMBL347056 | 0.76 | CYP1A2 (0.44) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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-118854308-A | Method for electrochemical synthesis of o-amino aryl alkyl sulfone compound | 广西师范大学 | 2024-10-29 | — | — | CN | disclosed |
| CN-112574078-B | 2-sulfuryl-2, 3-dihydro-1-indanone and derivatives and synthesis method thereof | 湖南工程学院 | 2022-09-13 | — | — | CN | disclosed |