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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17295691 | 0.93 | RAB9A (0.38) | RAB9AMAPTKDM4EHSD17B10SMN1; SMN2 | |
| Lithium Ion SCHEMBL17295751 | 0.89 | RAB9A (0.38) | RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1 | |
| Lithium Ion SCHEMBL19096770 | 0.89 | RAB9A (0.38) | RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1 | |
| Lithium Ion SCHEMBL19874171 | 0.85 | RAB9A (0.41) | RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL17295787 | 0.84 | MEN1 (0.36) | RAB9AMAPTKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL19874122 | 0.83 | RAB9A (0.36) | RAB9AMAPTSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL17295745 | 0.82 | RAB9A (0.39) | RAB9ASMN1; SMN2NPC1ALDH1A1FPR2 | |
| SCHEMBL19874136 | 0.80 | RAB9A (0.35) | RAB9AMAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL19874123 | 0.79 | RAB9A (0.36) | RAB9AMAPTNPC1MEN1KMT2A | |
| SCHEMBL19874121 | 0.79 | RAB9A (0.36) | RAB9AMAPTNPC1MEN1KMT2A |
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-3148542-A1 | FACTOR XIA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183709-A1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-12-03 | — | — | WO | disclosed |