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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL3343498 | 0.92 | REN (0.39) | HTR1AADRA1DADRA1AADRA1BPOLB | |
| Lithium Ion SCHEMBL3338747 | 0.92 | HTR1A (0.44) | HTR1AADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL3643578 | 0.89 | CASR (0.42) | GAAHTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL8076505 | 0.82 | HTR1A (0.46) | HTR1AADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL3641253 | 0.81 | ALDH1A1 (0.41) | HTR1AADRA1DADRA1AADRA1BPOLB | |
| SCHEMBL3344191 | 0.81 | CASR (0.42) | POLB | |
| SCHEMBL3343494 | 0.81 | CASR (0.49) | HTR1AADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL3338753 | 0.81 | HTR1A (0.46) | HTR1AADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL3343503 | 0.80 | ALDH1A1 (0.40) | HTR1AADRA1DADRA1AADRA1BPOLB | |
| SCHEMBL1567463 | 0.76 | HTT (0.45) | HPGDSMN1; SMN2ALDH1A1HTT |
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-2170815-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156817-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |