Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8757598 | 0.97 | TP53 (0.41) | TP53TSHRACHELMNAALOX12 | |
| Tetramethylammonium Ion SCHEMBL6435666 | 0.90 | TP53 (0.36) | TP53TSHRACHELMNAALOX12 | |
| Tetraphenylphosphonium SCHEMBL11801717 | 0.84 | HIF1A (0.36) | TP53TSHRACHELMNAALOX12 | |
| Lithium Ion SCHEMBL7107316 | 0.78 | TP53 (0.39) | TP53TSHRACHELMNAALOX12 | |
| Lithium Ion SCHEMBL20543346 | 0.76 | TP53 (0.38) | TP53TSHRACHELMNAALOX12 | |
| Lithium Ion SCHEMBL9003332 | 0.75 | TSHR (0.41) | TP53TSHRSMN1; SMN2 | |
| SCHEMBL15065197 | 0.74 | TP53 (0.41) | TP53TSHRACHELMNAALOX12 | |
| SCHEMBL1040893 | 0.74 | TP53 (0.41) | TP53TSHRACHELMNAALOX12 | |
| SCHEMBL21810707 | 0.72 | TP53 (0.39) | TP53TSHRACHELMNAALOX12 | |
| SCHEMBL4162491 | 0.72 | TSHR (0.42) | TP53TSHRSMN1; 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1500659-B1 | Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons | SHELL INT RESEARCH (NL) | 2008-09-24 | — | — | EP | disclosed |
| CN-1835993-A | Method for joining piping systems and piping to equipment, fixtures, devices, structures, and appliances | DOW GLOBAL TECHNOLOGIES INC (US) | 2006-09-20 | — | — | CN | disclosed |
| EP-1328597-B1 | QUATERNARY BORON COMPOUND POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES | LOCTITE R & D LTD (IE) | 2005-03-02 | — | — | EP | disclosed |
| EP-1268490-B1 | SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS | SHELL INT RESEARCH (NL) | 2005-01-26 | — | — | EP | disclosed |
| EP-1500659-A1 | Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2005-01-26 | — | — | EP | disclosed |
| EP-1259517-B1 | SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS | SHELL INT RESEARCH (NL) | 2003-09-17 | — | — | EP | disclosed |
| EP-1328597-A1 | QUATERNARY BORON COMPOUND POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES | Loctite (R & D) Limited (IE) | 2003-07-23 | — | — | EP | disclosed |
| EP-1268490-A1 | SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2003-01-02 | — | — | EP | disclosed |
| EP-1259517-A1 | SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2002-11-27 | — | — | EP | disclosed |
| US-6451937-B1 | BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST | SHELL OIL COMPANY | 2002-09-17 | — | — | US | disclosed |
| EP-0555058-B1 | (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition | TOYO INK MFG CO (JP) | 1997-05-07 | — | — | EP | disclosed |
| US-5557027-A | METAL COMPLEX WITH CYCLIC PHOSPHORANE LIGAND, PREPARATION OF LINEAR ALPHA-OLEFINS | SHELL OIL COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |
| US-5439862-A | Comprising transition metal complexed with a five coordinate phosphorus compound, such as a phosphorane; producing linear ethylene oligomers | SHELL OIL COMPANY | 1995-08-08 | — | — | US | disclosed |
| EP-0555058-A1 | (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition | TOYO INK MANUFACTURING CO., LTD. (JP) | 1993-08-11 | — | — | EP | disclosed |
| EP-0254277-B1 | OLIGOMERIZATION CATALYST AND OLIGOMERIZATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4822915-A | METAL COMPLEXES AS POLYMERIZATION CATALYST FOR THE OLIGOMERIZATION OF ETHYLENE; CATALYST SELECTIVITY | UNION CARBIDE CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |
| EP-0254277-A2 | Oligomerization catalyst and oligomerization process | UNION CARBIDE CORPORATION (US) | 1988-01-27 | — | — | EP | disclosed |
| US-4716138-A | REACTION PRODUCT OF TRANSITION METAL COMPOUND AND ORGANOPHOSPHORUS SULFONATE | UNION CARBIDE CORPORATION (US) | 1987-12-29 | — | — | US | disclosed |
| US-4689437-A | ETHYLENE OR ETHYLENE-PROPYLENE, CATALYST FROM TRANSITION METAL COMPOUND, ACTIVATOR, ORGANOPHOSPHORUS SULFONATE LIGAND | UNION CARBIDE CORPORATION (US) | 1987-08-25 | — | — | US | disclosed |