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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | FOXM1 | Q08050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8749366 | 0.89 | ESR1 (0.35) | ESR1NPC1RAB9AHPGDSCNR2 | |
| SCHEMBL9616774 | 0.85 | KMT2A (0.42) | ESR1NPC1RAB9ACNR2ALDH1A1 | |
| SCHEMBL8749295 | 0.84 | KDM4E (0.44) | ESR1NPC1RAB9AHPGDSCNR2 | |
| SCHEMBL7598473 | 0.81 | KDM4E (0.46) | ESR1NPC1RAB9AHPGDSCNR2 | |
| SCHEMBL8749311 | 0.81 | EPHX2 (0.39) | ESR1NPC1RAB9AKDM4EKDM2B | |
| SCHEMBL9043472 | 0.80 | SLC6A3 (0.41) | ESR1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL8860947 | 0.80 | SLC6A3 (0.41) | ESR1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL7602742 | 0.79 | EPHX2 (0.41) | ESR1NPC1RAB9AKDM4EKDM2B | |
| SCHEMBL7603629 | 0.78 | ESR1 (0.43) | ESR1CASP3SENP7 | |
| Ammonia Solution, Strong SCHEMBL7608011 | 0.77 | KMT2A (0.40) | NPC1RAB9ACNR2ALDH1A1SMN1; SMN2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417380-B1 | POLYCYCLOALKYL KETONE CONTAINING FLUORESCENT CHROMOPHORE IS ALKYLATED TO POLYCYCLOALKYLIDENE ETHER IN PRESENCE OF ALKALI METAL ALKOXIDE IN POLAR APROTIC SOLVENT | APPLIED BIOSYSTEMS, LLC | 2002-07-09 | — | — | US | disclosed |
| US-6124478-A | Methods of using 1,2-dioxetanes and kits therefore | TROPIX, INC. (US) | 2000-09-26 | — | — | US | disclosed |
| EP-0582317-B1 | Synthesis of 1,2-dioxetanes and intermediates therefor | TROPIX INC (US) | 1999-08-25 | — | — | EP | disclosed |
| US-5648555-A | Alkenes | APPLIED BIOSYSTEMS, LLC | 1997-07-15 | — | — | US | disclosed |
| US-5639907-A | Synthesis of 1,2-dioxetanes and intermediates therefor | TROPIX, INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5637747-A | Synthesis of 1,2-dioxetanes and intermediates therefor | TROPIX, INC. (US) | 1997-06-10 | — | — | US | disclosed |
| US-5625077-A | 1,2-dioxetanes | TROPIX, INC. (US) | 1997-04-29 | — | — | US | disclosed |
| EP-0368946-B1 | 1,2-DIOXETANES | TROPIX INC (US) | 1994-09-14 | — | — | EP | disclosed |
| EP-0582317-A2 | Synthesis of 1,2-dioxetanes and intermediates therefor | TROPIX, INC. (US) | 1994-02-09 | — | — | EP | disclosed |
| US-5177241-A | SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR | APPLIED BIOSYSTEMS, LLC | 1993-01-05 | — | — | US | disclosed |
| US-4956477-A | Synthesis of 1,2-dioxetanes | TROPIX, INC. (US) | 1990-09-11 | — | — | US | disclosed |
| EP-0368946-A1 | 1,2-DIOXETANES. | QUEST SYSTEMS INC (US) | 1990-05-23 | — | — | EP | disclosed |
| EP-0368946-A4 | 1,2-DIOXETANES. | QUEST SYSTEMS INC (US) | 1990-05-14 | — | — | EP | disclosed |
| WO-1989006226-A1 | SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR | QUEST SYSTEMS, INC. (US) | 1989-07-13 | — | — | WO | disclosed |