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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3563940 | 0.89 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4POLB | |
| SCHEMBL27980521 | 0.80 | CXCR4 (0.47) | SLC6A2SLC6A4SLC6A3CXCR4POLB | |
| SCHEMBL28969434 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4323836 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4HTR2A | |
| SCHEMBL9675386 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4HTR2A | |
| Hydrochloric Acid SCHEMBL4453175 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3ADRB2HTR1A | |
| SCHEMBL10511175 | 0.73 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3ADRB2HTR1A | |
| Hydrochloric Acid SCHEMBL4449006 | 0.72 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3ADRB2HTR1A | |
| Hydrochloric Acid SCHEMBL4318626 | 0.71 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23380057 | 0.71 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3ADRB2HTR1A |
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-106279226-A | The preparation method and application of 1,3,5,7-tetramethyl-8-(4-(4-(2-(morpholinyl) ethyl) piperazinyl) phenyl) boron fluoride complexation two pyrroles's methine | 北京师范大学 | 2017-01-04 | — | — | CN | disclosed |