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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL196117 | 0.92 | ALDH1A1 (0.36) | TSHRTDP1ALDH1A1 | |
| Fluoride SCHEMBL15367056 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL9387756 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL7145095 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL5732640 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL2078957 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL2912820 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5597696 | 0.69 | TSHR (0.41) | TSHRTDP1 | |
| SCHEMBL12675478 | 0.67 | — | — | |
| Lithium Ion SCHEMBL1989420 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541327-A | Preparation of camptothecin analogs | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1996-07-30 | — | — | US | disclosed |
| US-5525731-A | CYCLIZATION; HALOGENATION; ALKYLATION; REDUCTION; HYDROLYSIS; DECARBOXYLATION; SELENYLATION | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1996-06-11 | — | — | US | disclosed |
| US-5391745-A | Cytotoxic activity towards cancer cells | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1995-02-21 | — | — | US | disclosed |
| WO-1994011376-A1 | CAMPTOTHECIN ANALOGUES AND METHODS OF PREPARATION THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-05-26 | — | — | WO | disclosed |