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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 4/20 | 0.38 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.38 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7679582 | 0.79 | ENPP2 (0.52) | ENPP2CES2CES1TSHRAKR1B1 | |
| Sulfuric Acid SCHEMBL8683069 | 0.78 | CES2 (0.50) | ENPP2CES2CES1TSHRRECQL | |
| SCHEMBL11386544 | 0.77 | ENPP2 (0.55) | ENPP2CES2CES1TSHRPPARG | |
| SCHEMBL3260172 | 0.77 | ENPP2 (0.50) | ENPP2CES2CES1TSHRAKR1B1 | |
| SCHEMBL2473534 | 0.76 | ENPP2 (0.49) | ENPP2CES2CES1TSHRAKR1B1 | |
| SCHEMBL20489317 | 0.76 | CES2 (0.54) | CES2CES1TSHRAKR1B1FAAH | |
| SCHEMBL860709 | 0.76 | ENPP2 (0.49) | ENPP2CES2CES1TSHRAKR1B1 | |
| SCHEMBL3802130 | 0.76 | ENPP2 (0.49) | ENPP2CES2CES1TSHRAKR1B1 | |
| SCHEMBL339688 | 0.74 | CES2 (0.56) | CES2CES1TSHRFAAHPPARG | |
| SCHEMBL2323233 | 0.74 | CES2 (0.56) | CES2CES1TSHRFAAHPPARG |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765483-B2 | Explosives detection substrate and methods of using the same | UNIVERSITY OF CONNECTICUT (US) | 2014-07-01 | — | — | US | claimed |
| US-8765483-B2 | Explosives detection substrate and methods of using the same | UNIVERSITY OF CONNECTICUT (US) | 2014-07-01 | — | — | US | disclosed |
| CN-102333825-B | Additives for enhancing the antistatic properties of conductive polymer-based coatings | ESSILOR INT | 2014-02-26 | — | — | CN | disclosed |
| US-20120282705-A1 | Explosives Detection Substrate and Methods of Using the Same | UNIVERSITY OF CONNECTICUT (US) | 2012-11-08 | — | — | US | disclosed |
| EP-2370527-B1 | ADDITIVES FOR ENHANCING THE ANTISTATIC PROPERTIES OF CONDUCTIVE POLYMER-BASED COATINGS | ESSILOR INT (FR) | 2012-10-24 | — | — | EP | disclosed |
| CN-102333825-A | Strengthen the additive of the antistatic property of electric conductive polymer base coating | ESSILOR INT | 2012-01-25 | — | — | CN | disclosed |
| US-20110248223-A1 | Additives for Enhancing the Antistatic Properties of Conductive Polymer-Based Coatings | ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) | 2011-10-13 | — | — | US | disclosed |
| EP-2370527-A1 | ADDITIVES FOR ENHANCING THE ANTISTATIC PROPERTIES OF CONDUCTIVE POLYMER-BASED COATINGS | Essilor International (Compagnie Générale D'Optique) (FR) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010076314-A1 | ADDITIVES FOR ENHANCING THE ANTISTATIC PROPERTIES OF CONDUCTIVE POLYMER-BASED COATINGS | ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) | 2010-07-08 | — | — | WO | disclosed |