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 | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ASPH | Q12797 | 1/20 | 0.32 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL31116884 | 0.96 | DHODH (0.34) | DHODHKMOCA1CA2HIPK2 | |
| SCHEMBL231248 | 0.82 | KMO (0.47) | DHODHKMOKMT2ASORT1MEN1 | |
| SCHEMBL31637017 | 0.82 | KMO (0.47) | DHODHKMOKMT2ASORT1MEN1 | |
| SCHEMBL31636805 | 0.81 | L3MBTL1 (0.46) | KMT2AMAPTKDM4E | |
| SCHEMBL14771234 | 0.81 | NPSR1 (0.42) | KMOHIPK2KMT2AMAPTKDM4E | |
| Lithium Ion SCHEMBL2065682 | 0.79 | KDM4E (0.42) | KMOCA1CA2HIPK2KDM4E | |
| Potassium Ion SCHEMBL29039878 | 0.78 | DAO (0.35) | KMOCA1CA2HIPK2KMT2A | |
| SCHEMBL3548766 | 0.78 | MAPT (0.38) | DHODHKMT2ASORT1MEN1NPC1 | |
| Zinc Ion SCHEMBL28582478 | 0.77 | KDM4E (0.35) | KMOCA1CA2HIPK2KMT2A | |
| SCHEMBL2599594 | 0.75 | BRD4 (0.49) | NPC1RAB9AMAPTKDM4E |
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-2421850-A1 | 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS | Glaxo Group Limited (GB) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122151-A1 | 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2010-10-28 | — | — | WO | disclosed |