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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.54 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL10575515 | 0.96 | KCNA3 (0.56) | KCNA3PABPC1EIF4HCTDSP1PKM | |
| SCHEMBL1172038 | 0.94 | KCNA3 (0.59) | KCNA3PABPC1EIF4HCTDSP1HDAC3 | |
| SCHEMBL3364128 | 0.90 | KCNA3 (0.52) | KCNA3PABPC1EIF4HCTDSP1PKM | |
| SCHEMBL5583897 | 0.90 | CA12 (0.48) | KCNA3PABPC1EIF4HCTDSP1ALDH1A1 | |
| SCHEMBL10012742 | 0.85 | CYP19A1 (0.50) | PABPC1EIF4HCTDSP1PKM | |
| SCHEMBL16414682 | 0.85 | CYP19A1 (0.50) | PABPC1EIF4HCTDSP1PKM | |
| SCHEMBL16713447 | 0.84 | GAA (0.60) | PKMALDH1A1LTA4HL3MBTL1 | |
| SCHEMBL5583895 | 0.84 | MGLL (0.47) | KCNA3PABPC1EIF4HCTDSP1PKM | |
| SCHEMBL7220133 | 0.81 | CA12 (0.45) | DRD2DRD4DRD3CA12CA1 | |
| SCHEMBL5583945 | 0.81 | MEN1 (0.48) | PKMDRD2DRD4DRD3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110776479-A | Thiazine-like compounds, preparation method and application thereof | 盖斯特里希医药公司 | 2020-02-11 | — | — | CN | claimed |
| CN-110776479-A | Thiazine-like compounds, preparation method and application thereof | 盖斯特里希医药公司 | 2020-02-11 | — | — | CN | disclosed |
| CN-107257786-B | Process for preparing oxathiazine-like compounds | 盖斯特里希医药公司 | 2019-12-24 | — | — | CN | disclosed |