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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | ACP3 | P15309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL130263 | 0.96 | RXRA (0.45) | RXRARXRBRXRGNOTUMACP1 | |
| SCHEMBL3558741 | 0.86 | RXRA (0.39) | RXRARXRBRXRGNOTUMACP1 | |
| SCHEMBL265486 | 0.81 | IDO1 (0.52) | RXRARXRBRXRGPRKCAPRKCD | |
| SCHEMBL3985022 | 0.81 | NOTUM (0.41) | RXRARXRBRXRGNOTUMACP1 | |
| SCHEMBL25368340 | 0.80 | NOTUM (0.40) | RXRARXRBRXRGNOTUMACP1 | |
| SCHEMBL3591051 | 0.78 | IDO1 (0.41) | NOTUMACP1IDO1TAS2R14CNR1 | |
| SCHEMBL29738521 | 0.78 | IDO1 (0.41) | NOTUMACP1IDO1TAS2R14CNR1 | |
| SCHEMBL14445400 | 0.76 | IDO1 (0.44) | NOTUMACP1IDO1TAS2R14S1PR1 | |
| SCHEMBL17994035 | 0.76 | NOTUM (0.40) | NOTUMACP1IDO1TAS2R14CNR1 | |
| SCHEMBL6467338 | 0.76 | NOTUM (0.51) | NOTUMACP1IDO1TAS2R14S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0835253-A1 | PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-04-15 | — | — | EP | disclosed |