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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.55 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.55 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.55 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Silver SCHEMBL4326545 | 0.95 | CA2 (0.55) | CA2CA1CA9CA12RAD51 | |
| SCHEMBL6027013 | 0.94 | CA1 (0.66) | CA2CA1CA9CA12RAD51 | |
| SCHEMBL5078517 | 0.87 | CA1 (0.56) | CA2CA1CA9CA12RAD51 | |
| SCHEMBL4328680 | 0.82 | MAPT (0.47) | CA2CA1CA9CA12RAD51 | |
| SCHEMBL8514633 | 0.80 | CA2 (0.59) | CA2CA1CA9CA12CYP19A1 | |
| SCHEMBL19953365 | 0.79 | LMNA (0.55) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL1894003 | 0.78 | CA2 (0.57) | CA2CA1CA9CA12CYP19A1 | |
| SCHEMBL1332778 | 0.78 | CA2 (0.57) | CA2CA1CA9CA12CYP19A1 | |
| SCHEMBL9470548 | 0.77 | ALDH1A1 (0.50) | CA2CA1CA9CA12CYP19A1 | |
| Tetrabuthylammonium SCHEMBL1836140 | 0.77 | KCNH2 (0.49) | CA2CA1CA9CA12CYP19A1 |
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-114959751-A | Catalytic system and application thereof, and synthetic method of trithioether dioxide and derivative thereof | 上海陶术生物科技有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-108430974-B | ROR gamma modulators | 领先制药控股公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-109651209-B | Method for preparing (E) -1-phenyl-4-sulfonyl butyl-1-alkene compound by activating carbon-carbon sigma-bond | 湖南理工学院 | 2020-08-11 | — | — | CN | disclosed |
| CN-108864173-B | Process for converting substituted sodium arylsulfinates into aryltri-n-butyltin | 天津师范大学 | 2020-07-21 | — | — | CN | disclosed |
| CN-111087366-A | β -aryl sulfonyl enamine compound synthesis method | 湖南农业大学 | 2020-05-01 | — | — | CN | disclosed |