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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.91 |
| ▸ | MAOB | P27338 | 2/20 | 0.91 |
| ▸ | DRD1 | P21728 | 10/20 | 0.68 |
| ▸ | DRD5 | P21918 | 9/20 | 0.68 |
| ▸ | DRD2 | P14416 | 8/20 | 0.68 |
| ▸ | DRD3 | P35462 | 7/20 | 0.68 |
| ▸ | DRD4 | P21917 | 6/20 | 0.68 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL98108 | 0.95 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL29390912 | 0.95 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 | |
| Hydrochloric Acid SCHEMBL23501375 | 0.93 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL29391320 | 0.88 | DRD1 (0.85) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL164206 | 0.88 | DRD1 (0.85) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL28072797 | 0.87 | MAOA (0.83) | MAOAMAOBDRD1DRD5DRD2 | |
| Iodide SCHEMBL12468173 | 0.85 | DRD1 (0.81) | MAOAMAOBDRD1DRD5DRD2 | |
| Hydrochloric Acid SCHEMBL165521 | 0.85 | MAOA (0.86) | MAOAMAOBDRD1DRD5DRD2 | |
| Sulfuric Acid SCHEMBL6520165 | 0.84 | MAOA (0.77) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL1950767 | 0.82 | MAOA (0.75) | MAOAMAOBDRD1DRD5DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009118765-A2 | NOVEL MONOAMINE RE-UPTAKE INHIBITOR | PANACEA BIOTEC LIMITED (GB) | 2009-10-01 | — | — | WO | disclosed |