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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.32 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.31 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 4/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL974086 | 0.84 | GAA (0.46) | MEN1ESR1GAAKMT2AESR2 | |
| SCHEMBL6695311 | 0.83 | SLC22A6 (0.41) | MEN1ESR1GAAKMT2AESR2 | |
| SCHEMBL974174 | 0.76 | F11 (0.40) | MEN1ESR1GAAKMT2AESR2 | |
| SCHEMBL7156677 | 0.74 | ESR1 (0.62) | MEN1ESR1GAAKMT2AESR2 | |
| SCHEMBL28119137 | 0.73 | KMT2A (0.46) | MEN1GAAKMT2ACA2CA1 | |
| Methane SCHEMBL27611186 | 0.72 | KMT2A (0.45) | MEN1GAAKMT2ACA2CA1 | |
| SCHEMBL4094195 | 0.71 | ELANE (0.40) | CA2CA1CA9LMNAELANE | |
| Potassium Ion SCHEMBL29154511 | 0.67 | ALDH1A1 (0.45) | GAAHTR6CA2CA1CA9 | |
| SCHEMBL7159703 | 0.67 | GAA (0.50) | MEN1ESR1GAAKMT2AESR2 | |
| SCHEMBL7161865 | 0.66 | MCL1 (0.42) | MEN1ESR1KMT2AESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6215022-B1 | REACTING DISODIUM 3-AMINO-1,5-NAPHTHALENEDISULFONIC ACID WITH POTASSIUM HYDROXIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | disclosed |