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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.41 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GLB1 | P16278 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7863351 | 0.82 | TTR (0.42) | THRBPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL14977703 | 0.81 | TTR (0.41) | THRBPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL17165112 | 0.80 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 | |
| SCHEMBL27061 | 0.80 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 | |
| SCHEMBL5831736 | 0.78 | GABRA1 (0.45) | POLBMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL11764994 | 0.78 | POLB (0.40) | POLBGABRA1GABRB2 | |
| Zinc Ion SCHEMBL3800912 | 0.76 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 | |
| SCHEMBL18139925 | 0.76 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 | |
| SCHEMBL9318297 | 0.76 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 | |
| SCHEMBL11667568 | 0.76 | POLB (0.41) | POLBMEN1KMT2AALDH1A1GABRA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2759553-B1 | METHOD FOR PRODUCING NITRILE RUBBER | LG CHEMICAL LTD (KR) | 2017-05-31 | — | — | EP | disclosed |
| US-9163096-B2 | Method for producing nitrile rubber | LG CHEM, LTD. (KR) | 2015-10-20 | — | — | US | disclosed |
| US-20140350203-A1 | METHOD FOR PRODUCING NITRILE RUBBER | LG CHEM, LTD. (KR) | 2014-11-27 | — | — | US | disclosed |
| EP-2759553-A1 | PRODUCTION METHOD FOR NITRILE RUBBER | LG Chem, Ltd. (KR) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013077530-A1 | PRODUCTION METHOD FOR NITRILE RUBBER | (주) 엘지화학 (KR) | 2013-05-30 | — | — | WO | disclosed |