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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.50 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.45 |
| ▸ | FABP3 | P05413 | 9/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129127 | 0.98 | CA1 (0.52) | CA1KDM4AKDM4CBBOX1FABP3 | |
| SCHEMBL10345913 | 0.93 | BBOX1 (0.46) | CA1KDM4AKDM4CBBOX1FABP3 | |
| SCHEMBL2949002 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL28887911 | 0.88 | CA1 (0.52) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| SCHEMBL9634201 | 0.86 | — | — | |
| Lithium Ion SCHEMBL580256 | 0.86 | — | — | |
| Potassium Ion SCHEMBL7052061 | 0.86 | — | — | |
| SCHEMBL9635577 | 0.86 | — | — | |
| SCHEMBL789588 | 0.82 | CA1 (0.47) | CA1FABP3EPHX1 | |
| SCHEMBL5880627 | 0.80 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5438115-A | Atleast one base as a reactant contacted with polymerization reaction mixture incremently during polymerization | PHILLIPS PETROLEUM COMPANY (US) | 1995-08-01 | — | — | US | disclosed |
| EP-0304792-B1 | Process for preparing polyarylensulfides of high purity | BAYER AG (DE) | 1994-12-21 | — | — | EP | disclosed |
| EP-0534359-A1 | Process for preparing arylene sulfide polymers | PHILLIPS PETROLEUM COMPANY (US) | 1993-03-31 | — | — | EP | disclosed |
| US-5110902-A | High molecular weight polythioether-sulfones | PHILLIPS PETROLEUM COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| US-5086163-A | High molecular weight polymers formed by contacting dihaloaromatic sulfone with complex of alkali metal aminoalkanoate and alkalimetal hydrosulfide | PHILLIPS PETROLEUM COMPANY (US) | 1992-02-04 | — | — | US | disclosed |
| EP-0304685-B1 | PROCESS FOR THE PREPARATION OF N-ALKYLOCAPROLACTAMS | BAYER AG (DE) | 1991-10-16 | — | — | EP | disclosed |
| US-5023315-A | Reacting dihaloaromatic component with complex of lactams, alkali hydroxide and sulfur source, such as alkali metal bisulfide, thiolactam or hydrogen sulfide; whiteness, purity | PHILLIPS PETEROLEUM COMPANY (US) | 1991-06-11 | — | — | US | disclosed |
| US-5015725-A | Heat resistant thermoplastic resins for electrical components, aircraft or automobile parts, protective coatings | PHILLIPS PETROLEUM COMPANY (US) | 1991-05-14 | — | — | US | disclosed |
| US-4920201-A | Isolation of purified solid polyarylene sulfide directly from polymerization solution | BAYER AKTIENGESELLSCHAFT (DE) | 1990-04-24 | — | — | US | disclosed |
| US-4873326-A | Process for the preparation of N-alkylated caprolactams | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0309955-A1 | Aromatic sulfide/sulfone polymer production | PHILLIPS PETROLEUM COMPANY (US) | 1989-04-05 | — | — | EP | disclosed |
| EP-0304685-A1 | Process for the preparation of N-alkylocaprolactams | BAYER AG (DE) | 1989-03-01 | — | — | EP | disclosed |
| US-4370470-A | Multistage, agitated contactor and its use in continuous production of arylene sulfide polymer | PHILLIPS PETROLEUM COMPANY (US) | 1983-01-25 | — | — | US | disclosed |