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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY2 | P41231 | 2/20 | 0.36 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.36 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | TK1 | P04183 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | TYMS | P04818 | 2/20 | 0.32 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | POLD1 | P28340 | 1/20 | 0.32 |
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 SCHEMBL8844072 | 0.84 | TYMS (0.49) | POLBTYMS | |
| SCHEMBL7752314 | 0.83 | TYMS (0.50) | POLBTYMS | |
| SCHEMBL31726216 | 0.74 | TK1 (0.46) | BCHETK1POLBPOLA1POLD1 | |
| SCHEMBL30969964 | 0.71 | TK1 (0.53) | BCHETK1POLBPOLA1POLD1 | |
| Zinc Ion SCHEMBL30918499 | 0.71 | TK1 (0.52) | BCHETK1POLBPOLA1POLD1 | |
| SCHEMBL8059303 | 0.70 | TYMS (0.64) | TYMS | |
| SCHEMBL6130170 | 0.68 | POLB (0.54) | POLBTYMSPOLA1POLD1 | |
| SCHEMBL23440064 | 0.67 | TK1 (0.54) | BCHETK1POLBPOLA1POLD1 | |
| SCHEMBL13245040 | 0.67 | TK1 (0.57) | BCHETK1POLBPOLA1POLD1 | |
| Deoxythymidine_Triphosphate SCHEMBL1331489 | 0.66 | POLB (0.69) | TK1POLBTYMS |
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-5702888-A | CONTACTING NUCLEIC ACID WITH COMPLEMENTARY NUCLEIC ACID PROBE HAVING STEROID HAPTEN BOUND THERETO BY BRIDGING GROUP TO HYBRIDIZE, CONTACTING WITH LABELLED ANTIBODY WHICH BINDS TO HAPTEN, DETECTING LABELLED ANTIBODY | BOEHRINGER MANNHEIM GMBH (DE) | 1997-12-30 | — | — | US | disclosed |
| US-5344757-A | By hybridization with complementary, labelled nucleic acid probe which contains a steroid hapten selected from digoxin or digoxigenin | BOEHRINGER MANNHEIM GMBH (DE) | 1994-09-06 | — | — | US | disclosed |