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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | MMP12 | P39900 | 2/20 | 0.44 |
| ▸ | MMP14 | P50281 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.38 |
| ▸ | MMP3 | P08254 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8639097 | 0.87 | MMP9 (0.48) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL8639821 | 0.87 | MMP9 (0.48) | MMP2MMP9MMP8MMP12MMP14 | |
| Lithium Ion SCHEMBL8642081 | 0.87 | CTSB (0.42) | MMP2MMP9MMP8MMP14MMP3 | |
| Lithium Ion SCHEMBL8640033 | 0.86 | NPC1 (0.41) | MMP9CTSBCTSLCTSSCTSK | |
| Lithium Ion SCHEMBL8642364 | 0.86 | NPC1 (0.41) | MMP9CTSBCTSLCTSSCTSK | |
| SCHEMBL8639883 | 0.85 | LTA4H (0.45) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL8638354 | 0.85 | LTA4H (0.45) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL8755957 | 0.84 | LTA4H (0.44) | MMP2MMP9MMP8MMP12MMP14 | |
| Lithium Ion SCHEMBL8642409 | 0.83 | GPR88 (0.39) | MMP9MMP8MMP3CTSB | |
| Lithium Ion SCHEMBL8639867 | 0.83 | GPR88 (0.39) | MMP9MMP8MMP3CTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0766694-B1 | PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON SPA (IT) | 1998-08-05 | — | — | EP | disclosed |