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 | 2/20 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.47 |
| ▸ | SCN1A known ✓ | P35498 | 2/20 | 0.36 |
| ▸ | SCN2A known ✓ | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A known ✓ | Q9NY46 | 2/20 | 0.36 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.34 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 6/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29018091 | 1.00 | CA12 (0.47) | CA12CA9CA3CA4CA6 | |
| SCHEMBL30950399 | 0.84 | TTR (0.56) | CA12CA9CA3CA4CA6 | |
| SCHEMBL8514648 | 0.84 | TTR (0.56) | CA12CA9CA3CA4CA6 | |
| SCHEMBL30774612 | 0.81 | CA12 (0.53) | CA12CA9CA3CA4CA6 | |
| SCHEMBL30060750 | 0.81 | CA12 (0.53) | CA12CA9CA3CA4CA6 | |
| SCHEMBL3384281 | 0.81 | CA12 (0.53) | CA12CA9CA3CA4CA6 | |
| Water SCHEMBL25181635 | 0.79 | CA12 (0.51) | CA12CA9CA3CA4CA6 | |
| SCHEMBL21857610 | 0.77 | CA9 (0.46) | CA12CA9CA3CA4CA6 | |
| SCHEMBL21857932 | 0.76 | CA12 (0.41) | CA12CA9CA3CA4CA6 | |
| SCHEMBL21857967 | 0.75 | TTR (0.54) | CA12CA9CA3CA4CA6 |
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-116273159-B | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-11-17 | — | — | CN | claimed |
| CN-116273159-A | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-06-23 | — | — | CN | claimed |
| CN-116273159-B | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-11-17 | — | — | CN | disclosed |
| CN-116273159-A | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-06-23 | — | — | CN | disclosed |