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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3743278 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL14726436 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL31042946 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL25187231 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL19204932 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL25405744 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL16072020 | 0.79 | ALDH1A1 (0.41) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL20237134 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL14094871 | 0.79 | CD274 (0.40) | CD274MEN1KMT2ACYP2C19CYP4F2 | |
| SCHEMBL26114225 | 0.77 | CD274 (0.42) | CD274MEN1KMT2ACYP2C19CYP4F2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3924056-A1 | THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS | Agios Pharmaceuticals, Inc. (US) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020167976-A1 | THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS | AGIOS PHARMACEUTICALS, INC. (US) | 2020-08-20 | — | — | WO | disclosed |