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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 10/20 | 0.42 |
| ▸ | PSMB10 | P40306 | 4/20 | 0.42 |
| ▸ | PSMB2 | P49721 | 4/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 3/20 | 0.42 |
| ▸ | PSMB9 | P28065 | 3/20 | 0.42 |
| ▸ | TMPRSS11D | O60235 | 1/20 | 0.39 |
| ▸ | CTRL | P40313 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 2/20 | 0.38 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.38 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.38 |
| ▸ | PSMD12 | O00232 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.38 |
| ▸ | PSMD3 | O43242 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836098 | 0.87 | SIGMAR1 (0.47) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL3836101 | 0.87 | SIGMAR1 (0.47) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL1030783 | 0.85 | BIRC2 (0.48) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL1030777 | 0.85 | BIRC2 (0.48) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL13647325 | 0.85 | BIRC2 (0.48) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL1030781 | 0.81 | SIGMAR1 (0.48) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL1022746 | 0.81 | SIGMAR1 (0.45) | SIGMAR1PSMB5PSMB10PSMB2PSMB8 | |
| SCHEMBL12883690 | 0.81 | SIGMAR1 (0.51) | SIGMAR1ALOX15CHRM5CHRM3ALDH1A1 | |
| SCHEMBL1076636 | 0.80 | SIGMAR1 (0.46) | SIGMAR1ALOX15CYP3A4CHRM5CHRM3 | |
| SCHEMBL12883685 | 0.79 | POLB (0.49) | SIGMAR1ALOX15CHRM5CHRM3ALDH1A1 |
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-20110028330-A1 | COMPOUNDS AND METHODS FOR THE LABELLING AND AFFINITY-SELECTION OF PROTEINS | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2011-02-03 | — | — | US | disclosed |