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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL9355843 | 1.00 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| Lithium Ion SCHEMBL5183330 | 1.00 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| Lithium Ion SCHEMBL395843 | 1.00 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| Lithium Ion SCHEMBL30116891 | 0.98 | GPR84 (0.61) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL23391732 | 0.96 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL303001 | 0.96 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL11812812 | 0.96 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL993154 | 0.96 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL21332450 | 0.96 | GPR84 (0.63) | GPR84FFAR1CA2CA1NFKB1 | |
| SCHEMBL9355567 | 0.96 | CA2 (0.64) | GPR84FFAR1CA2CA1NFKB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569993-B1 | BITUMEN COMPOSITION | SHELL INT RESEARCH (NL) | 2010-01-06 | — | — | EP | disclosed |
| US-7060743-B2 | Bitumen composition | SHELL OIL COMPANY (US) | 2006-06-13 | — | — | US | disclosed |
| US-20060052488-A1 | Bitumen composition | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2006-03-09 | — | — | US | disclosed |
| EP-1569993-A2 | BITUMEN COMPOSITION | Shell Internationale Research Maatschappij B.V. (NL) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004033547-A2 | BITUMEN COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-04-22 | — | — | WO | disclosed |
| EP-0416321-B1 | Crystalline polyolefin composition | CHISSO CORP (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-5063264-A | Molding materials | CHISSO CORPORATION (JP) | 1991-11-05 | — | — | US | disclosed |
| EP-0416321-A1 | Crystalline polyolefin composition | Chisso Corporation (JP) | 1991-03-13 | — | — | EP | disclosed |