Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Demannose. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Demannose SCHEMBL14248791 | 0.96 | PDE4A (0.42) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL16540384 | 0.95 | PDE4A (0.41) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Galactose SCHEMBL31555927 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL29844979 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Galactose SCHEMBL30458008 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Galactose SCHEMBL423422 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL8560244 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL3630269 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL21456966 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 | |
| Demannose SCHEMBL29395609 | 0.94 | PDE4A (0.50) | PDE4ALMNAUSP2SLCO1B1L3MBTL1 |
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-2011140386-A2 | DETOXIFICATION OF BIOMASS DERIVED ACETATE VIA METABOLIC CONVERSION TO ETHANOL, ACETONE, ISOPROPANOL, OR ETHYL ACETATE | MASCOMA CORPORATION (US) | 2011-11-10 | — | — | WO | disclosed |