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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 9/20 | 0.71 |
| ▸ | CA1 known ✓ | P00915 | 9/20 | 0.71 |
| ▸ | CA2 known ✓ | P00918 | 9/20 | 0.71 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 9/20 | 0.71 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9806536 | 0.88 | CA12 (0.63) | CA12CA1CA2CA9HTT | |
| SCHEMBL9305629 | 0.88 | CA12 (0.63) | CA12CA1CA2CA9HTT | |
| SCHEMBL9806621 | 0.88 | CA12 (0.63) | CA12CA1CA2CA9HTT | |
| SCHEMBL11608338 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL15158111 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL28998296 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL9719002 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL10976175 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL15463371 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR | |
| SCHEMBL11005394 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9TSHR |
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-114478339-B | Preparation method of xanthate collector | 中南大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-114478339-A | Preparation method of xanthate collecting agent | 中南大学 | 2022-05-13 | — | — | CN | disclosed |