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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7102088 | 0.95 | CA1 (0.47) | CA2CA1NFKB1CYP3A4TSHR | |
| Potassium Ion SCHEMBL7095225 | 0.93 | CA1 (0.45) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL7100584 | 0.89 | CA2 (0.46) | CA2CA1NFKB1CYP3A4TSHR | |
| Potassium Ion SCHEMBL7098111 | 0.86 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL7102067 | 0.84 | CYP3A4 (0.33) | CA2CA1NFKB1CYP3A4TSHR | |
| Potassium Ion SCHEMBL11581377 | 0.81 | CYP3A4 (0.31) | NFKB1CYP3A4TSHRNPSR1 | |
| Potassium Ion SCHEMBL7100337 | 0.81 | CYP3A4 (0.31) | NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL7100292 | 0.80 | CYP3A4 (0.46) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL4665221 | 0.80 | CA2 (0.31) | CA2 | |
| SCHEMBL1244940 | 0.79 | CA1 (0.42) | CA2CA1NFKB1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4983478-A | Burn-in gumming composition for offset printing plates | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-01-08 | — | — | US | disclosed |
| US-4885230-A | Burn-in gumming composition for offset printing plates | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-12-05 | — | — | US | disclosed |
| US-4158623-A | CONDITIONING AN AQUEOUS SLURRY WITH A FATTY ACID AND A DIALKYL SULFOSUCCINATE | AMERICAN CYANAMID COMPANY (US) | 1979-06-19 | — | — | US | disclosed |
| US-4081418-A | Emulsifiers useful for emulsion polymerization of vinyl monomers | AMERICAN CYANAMID COMPANY (US) | 1978-03-28 | — | — | US | disclosed |