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 | |
|---|---|---|---|---|
| ▸ | SYK known ✓ | P43405 | 1/20 | 0.52 |
| ▸ | SCN8A known ✓ | Q9UQD0 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | FES | P07332 | 1/20 | 0.52 |
| ▸ | RET | P07949 | 1/20 | 0.52 |
| ▸ | MARK3 | P27448 | 1/20 | 0.52 |
| ▸ | TYK2 | P29597 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | CLK2 | P49760 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722631 | 0.85 | CHRM2 (0.67) | CHRM2CYP1A2CYP2D6MAPTFES | |
| SCHEMBL423358 | 0.82 | CYP1A2 (0.62) | CHRM2CYP1A2CYP2D6MAPTFES | |
| SCHEMBL11594897 | 0.81 | CHRM2 (0.93) | CHRM2CYP1A2CYP2D6FESRET | |
| SCHEMBL8641267 | 0.79 | CYP1A2 (0.62) | CHRM2CYP1A2CYP2D6MAPTFES | |
| SCHEMBL9672546 | 0.79 | CHRM2 (0.75) | CHRM2CYP1A2CYP2D6MAPTFES | |
| SCHEMBL14931588 | 0.78 | CHRM2 (0.86) | CHRM2CYP1A2CYP2D6FESRET | |
| SCHEMBL19031318 | 0.78 | CYP1A2 (0.83) | CHRM2CYP1A2CYP2D6RECQLSCN8A | |
| SCHEMBL29875178 | 0.78 | CYP1A2 (0.83) | CHRM2CYP1A2CYP2D6RECQLSCN8A | |
| SCHEMBL29870183 | 0.76 | CYP1A2 (0.74) | CHRM2CYP1A2CYP2D6FESRET | |
| SCHEMBL4051279 | 0.76 | CYP1A2 (0.74) | CHRM2CYP1A2CYP2D6FESRET |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100189819-A1 | NEURO-DEGENERATIVE INHIBITOR, NEURO-ENDOCRINE MODULATOR, AND NEURO-CEREBRAL METABOLISM ENHANCER | INTRATHERAPIES LLC (US) | 2010-07-29 | — | — | US | disclosed |
| WO-2004032916-A1 | A COMPOSITION COMPRISING SELEGELINE, PROCAINE, VINPOCETINE, TRIMETHYLGLYCINEAN AND A N-GABA INGREDIENT FOR TREATING NEURODEGENERATIVE DISORDERS | UNIFUND CORPORATION LIMITED (GB) | 2004-04-22 | — | — | WO | disclosed |
| US-20040067986-A1 | Neuro-degenerative inhibitor, neuro-endocrine modulator, and neuro-cerebral metabolism enhancer | UNIFUND CORPORATION | 2004-04-08 | — | — | US | disclosed |