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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10666377 | 0.98 | CYP1A2 (0.42) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL27554143 | 0.96 | GAA (0.43) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL637761 | 0.81 | CYP1A2 (0.36) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL1123366 | 0.79 | L3MBTL1 (0.46) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL11756163 | 0.78 | GAA (0.44) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL8903243 | 0.78 | GAA (0.44) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL4457282 | 0.78 | GAA (0.44) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL11612504 | 0.76 | PHGDH (0.61) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL11494864 | 0.76 | GAA (0.43) | GAACYP1A2CYP3A4CYP2C19PHGDH | |
| SCHEMBL10530131 | 0.74 | ALDH1A1 (0.45) | GAACYP1A2CYP3A4CYP2C19PHGDH |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2766418-B1 | VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-03-07 | — | — | EP | claimed |
| US-9725547-B2 | Vulcanisable compositions based on epoxy group-containing nitrile rubbers | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-08-08 | — | — | US | claimed |
| EP-2766422-B1 | VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-05-03 | — | — | EP | claimed |
| US-20140378618-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2014-12-25 | — | — | US | claimed |
| US-20140256886-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2014-09-11 | — | — | US | claimed |
| EP-2766418-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | LANXESS Deutschland GmbH (DE) | 2014-08-20 | — | — | EP | claimed |
| EP-2766422-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | LANXESS Deutschland GmbH (DE) | 2014-08-20 | — | — | EP | claimed |
| WO-2013053761-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2013-04-18 | — | — | WO | claimed |
| WO-2013053763-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2013-04-18 | — | — | WO | claimed |
| EP-2581407-A1 | Vulcanisable compounds on the basis of nitrile rubbers containing epoxy groups | Lanxess Deutschland GmbH (DE) | 2013-04-17 | — | — | EP | claimed |
| EP-2581409-A1 | Vulcanisable compounds on the basis of nitrile rubbers containing epoxy groups | Lanxess Deutschland GmbH (DE) | 2013-04-17 | — | — | EP | claimed |
| EP-2766418-B1 | VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-03-07 | — | — | EP | disclosed |
| US-9725547-B2 | Vulcanisable compositions based on epoxy group-containing nitrile rubbers | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| EP-2766422-B1 | VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-05-03 | — | — | EP | disclosed |
| US-20140378618-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2014-12-25 | — | — | US | disclosed |
| EP-1316819-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-4684687-A | ACCUMULATOR DIAPHRAGMS, SEALS | HYDRIL COMPANY (US) | 1987-08-04 | — | — | US | disclosed |
| US-4575522-A | HYDROLYTIC AND THERMAL STABILITY | HYDRIL COMPANY (US) | 1986-03-11 | — | — | US | disclosed |
| US-4512962-A | Hormite inclusion complex with adsorbed sulphur or sulphur donor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-04-23 | — | — | US | disclosed |
| US-4099003-A | NON-BLOOMING ACCELERATOR AND PROCESS FOR VULCANIZATION OF EPDM ELASTOMERS | PENNWALT CORPORATION (US) | 1978-07-04 | — | — | US | disclosed |