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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.55 |
| ▸ | CSF1R | P07333 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 5/20 | 0.52 |
| ▸ | BACE1 | P56817 | 5/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.48 |
| ▸ | RET | P07949 | 2/20 | 0.47 |
| ▸ | KIF5B | P33176 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | KIT | P10721 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8647902 | 0.90 | EGFR (0.55) | EGFRCSF1RACHEBACE1PDGFRB | |
| Lithium SCHEMBL8650904 | 0.90 | EGFR (0.55) | EGFRCSF1RACHEBACE1PDGFRB | |
| SCHEMBL8650896 | 0.90 | EGFR (0.55) | EGFRCSF1RACHEBACE1PDGFRB | |
| SCHEMBL8647403 | 0.83 | EGFR (0.61) | EGFRCSF1RACHEBACE1RET | |
| SCHEMBL27477800 | 0.82 | EGFR (0.60) | EGFRCSF1RACHEBACE1RET | |
| SCHEMBL9113385 | 0.81 | EGFR (0.57) | EGFRCSF1RACHEBACE1RET | |
| SCHEMBL4718427 | 0.77 | EGFR (0.65) | EGFRCSF1RACHEBACE1RET | |
| Hydrochloric Acid SCHEMBL6181670 | 0.76 | EGFR (0.66) | EGFRCSF1RACHEBACE1RET | |
| SCHEMBL5468434 | 0.71 | ACHE (0.68) | EGFRCSF1RACHEBACE1PDE10A | |
| SCHEMBL6185124 | 0.71 | EGFR (1.00) | EGFRCSF1RACHEBACE1RET |
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-5736534-A | HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA | PFIZER INC. (US) | 1998-04-07 | — | — | US | disclosed |
| WO-1995023141-A1 | 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS | PFIZER INC. (US) | 1995-08-31 | — | — | WO | disclosed |