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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CALCA | P06881 | 9/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5808560 | 0.90 | ADRB3 (0.46) | MEN1KMT2ACALCAADRB2ADRB1 | |
| SCHEMBL5797321 | 0.89 | POLB (0.45) | MEN1KMT2ACALCAADRB2ADRB1 | |
| SCHEMBL5801033 | 0.85 | CTSK (0.49) | CTSK | |
| SCHEMBL5800380 | 0.82 | CTSL (0.52) | CTSK | |
| SCHEMBL6185845 | 0.76 | ALDH1A1 (0.53) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL6185853 | 0.76 | ALDH1A1 (0.53) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL6207439 | 0.73 | POLB (0.46) | MEN1KMT2A | |
| SCHEMBL6190774 | 0.71 | USP30 (0.42) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL6190773 | 0.71 | USP30 (0.42) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL6208313 | 0.71 | CTSL (0.53) | CTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006042103-A2 | REVERSIBLE INHIBITORS OF CATHEPSIN B | AXYS PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |