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 | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.75 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.61 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.61 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.61 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.61 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.56 |
| ▸ | TNF | P01375 | 4/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL10408407 | 0.97 | ADORA2B (0.75) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407485 | 0.97 | ADORA2B (0.75) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407724 | 0.97 | ADORA2B (0.75) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407732 | 0.97 | ADORA2B (0.75) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407721 | 0.86 | PDE4A (0.63) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407729 | 0.86 | PDE4A (0.63) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL10407483 | 0.86 | PDE4A (0.63) | ADORA2BTNFACHEUSP2LMNA | |
| Zinc Ion SCHEMBL10408405 | 0.86 | PDE4A (0.63) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL20863739 | 0.86 | ADORA2B (1.00) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL356160 | 0.86 | ADORA2B (1.00) | ADORA2BTNFACHEUSP2LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111110590-B | Agar oligosaccharide composition for balancing scalp grease secretion, preparation method and application | 厦门传茗生物科技有限公司 | 2022-06-28 | — | — | CN | disclosed |
| US-10877035-B2 | Advanced drug development and manufacturing | ICAGEN, LLC (US) | 2020-12-29 | — | — | US | disclosed |
| CN-111110590-A | Agar oligosaccharide composition for balancing scalp grease secretion, preparation method and application | 蓝脑科技(厦门)有限公司 | 2020-05-08 | — | — | CN | disclosed |
| US-20150309021-A1 | Advanced Drug Development and Manufacturing | LOS ALAMOS NATIONAL SECURITY, LLC | 2015-10-29 | — | — | US | disclosed |
| EP-2511844-B1 | X-ray microscope | XRPRO SCIENCES INC (US) | 2015-08-12 | — | — | EP | disclosed |
| EP-2511844-A2 | Advanced drug development and manufacturing | Los Alamos National Security, LLC (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2084519-B1 | X-RAY FLUORESCENCE ANALYSIS METHOD | LOS ALAMOS NAT SECURITY LLC (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-2084519-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | Los Alamos National Security, LLC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008127291-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2008-10-23 | — | — | WO | disclosed |
| US-20080220441-A1 | Advanced drug development and manufacturing | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2008-09-11 | — | — | US | disclosed |