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 | 3/20 | 0.53 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.53 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861066 | 0.86 | IDO1 (0.54) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL6209541 | 0.85 | IDO1 (0.61) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL10854896 | 0.84 | IDO1 (0.56) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL9861078 | 0.83 | IDO1 (0.54) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL6209542 | 0.82 | IDO1 (0.58) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL1827937 | 0.82 | IDO1 (0.58) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL6209548 | 0.82 | CA2 (0.42) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL11858311 | 0.81 | IDO1 (0.56) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL5912986 | 0.78 | CA2 (0.62) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL29003483 | 0.77 | CA2 (0.50) | IDO1CA12CA1CA2CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974730-A | Method for synthesizing organic sulfate by persulfate | 湖南大学 | 2023-04-18 | — | — | CN | disclosed |