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 | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 4/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GLP1R | P43220 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ANO1 | Q5XXA6 | 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 | |
|---|---|---|---|---|
| SCHEMBL210224 | 0.93 | CTSK (0.36) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL2839845 | 0.93 | CTSK (0.36) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL211166 | 0.92 | CTSK (0.35) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL213143 | 0.92 | CTSK (0.35) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL213056 | 0.92 | CTSK (0.35) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL27810814 | 0.91 | CTSK (0.40) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL27789219 | 0.91 | CTSK (0.40) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL212118 | 0.91 | CTSK (0.36) | CTSKABL1NOTUMMAPK1PKM | |
| SCHEMBL2837662 | 0.90 | CTSK (0.34) | CTSKNOTUMMAPK1PKMRAB9A | |
| SCHEMBL213061 | 0.90 | CTSK (0.36) | CTSKABL1NOTUMMAPK1PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |