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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7935120 | 0.87 | ADRB2 (0.51) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL8431377 | 0.86 | ADRB2 (0.56) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7937837 | 0.82 | ADRB2 (0.43) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7929037 | 0.82 | ADRB2 (0.43) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7929039 | 0.82 | ADRB2 (0.43) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL8431744 | 0.80 | ALOX15 (0.40) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL8433752 | 0.80 | ADRB2 (0.48) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7937853 | 0.77 | ALOX15 (0.61) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7937859 | 0.77 | ALOX15 (0.61) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR | |
| SCHEMBL7938197 | 0.77 | ALOX15 (0.61) | ALOX15ADRB2ADRB3SMN1; SMN2TSHR |
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-5902900-A | OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| US-5679557-A | Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms | DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) | 1997-10-21 | — | — | US | disclosed |