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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 16/20 | 0.77 |
| ▸ | ADRB2 | P07550 | 12/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.77 |
| ▸ | ADRB1 | P08588 | 13/20 | 0.64 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10478199 | 0.90 | ADRB3 (0.78) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL11255869 | 0.88 | ADRB3 (0.77) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL22729973 | 0.87 | ADRB3 (1.00) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL6678497 | 0.87 | ADRB3 (1.00) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL11251142 | 0.87 | ADRB3 (0.77) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL11247530 | 0.87 | ADRB3 (0.77) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL11253857 | 0.87 | ADRB3 (0.77) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| Water SCHEMBL15421413 | 0.87 | ADRB3 (0.98) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL11245796 | 0.86 | ADRB3 (0.65) | ADRB3ADRB2CYP2D6CYP3A4HIF1A | |
| SCHEMBL7153650 | 0.82 | ADRB2 (0.62) | ADRB3ADRB2CYP2D6ADRB1ADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| US-4338333-A | ANTIOBESITY, HYPOGLYCEMIC | BEECHAM GROUP LIMITED (GB) | 1982-07-06 | — | — | US | claimed |
| EP-0023385-A1 | Ethanamine derivatives, their preparation and use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-02-04 | — | — | EP | disclosed |