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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.62 |
| ▸ | CES1 | P23141 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.52 |
| ▸ | FEN1 | P39748 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Silver SCHEMBL11451384 | 0.95 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL9175790 | 0.95 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL10357058 | 0.95 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL5777163 | 0.86 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL4962405 | 0.84 | CES2 (0.50) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL16447302 | 0.84 | CES2 (0.50) | CES2CES1ALDH1A1ALOX15HPGD | |
| Phthalic Acid SCHEMBL106332 | 0.82 | ALDH1A1 (0.64) | CES2CES1ALDH1A1ALOX15HPGD | |
| Phthalic Acid SCHEMBL2378712 | 0.79 | ALDH1A1 (0.61) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL2156696 | 0.77 | CES2 (1.00) | CES2CES1ALDH1A1ALOX15HPGD | |
| SCHEMBL250099 | 0.77 | CES2 (0.71) | CES2CES1ALDH1A1ALOX15HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5557027-A | METAL COMPLEX WITH CYCLIC PHOSPHORANE LIGAND, PREPARATION OF LINEAR ALPHA-OLEFINS | SHELL OIL COMPANY (US) | 1996-09-17 | — | — | 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 |