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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5439442 | 0.98 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL27612215 | 0.98 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL6611266 | 0.95 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL3693876 | 0.83 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL5439360 | 0.83 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL450915 | 0.82 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL450914 | 0.82 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL2792760 | 0.81 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL4534552 | 0.81 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL13194718 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 |
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-1448548-A1 | PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | AstraZeneca AB (SE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003042205-A1 | PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | ASTRAZENECA AB (SE) | 2003-05-22 | — | — | WO | disclosed |