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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | KLK1 | P06870 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL19096770 | 1.00 | RAB9A (0.38) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| Lithium Ion SCHEMBL19874171 | 0.95 | RAB9A (0.41) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| Lithium Ion SCHEMBL17295754 | 0.89 | RAB9A (0.34) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| SCHEMBL17295770 | 0.86 | CPB2 (0.42) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| Lithium Ion SCHEMBL17295808 | 0.82 | F11 (0.41) | F11KLK1 | |
| SCHEMBL17295745 | 0.81 | RAB9A (0.39) | RAB9AALDH1A1NPC1SMN1; SMN2FFAR2 | |
| SCHEMBL19886595 | 0.81 | ALDH1A1 (0.43) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| SCHEMBL17295691 | 0.80 | RAB9A (0.38) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| SCHEMBL19874327 | 0.76 | RAB9A (0.45) | RAB9AALDH1A1NPC1SMN1; SMN2FPR2 | |
| SCHEMBL19874404 | 0.76 | RAB9A (0.43) | RAB9AALDH1A1NPC1SMN1; SMN2FPR2 |
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 |