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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 9/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL431428 | 0.97 | HDAC3 (0.45) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| Lithium Ion SCHEMBL4553399 | 0.82 | MTNR1A (0.57) | HDAC1HDAC2HDAC10HDAC11HDAC8 | |
| SCHEMBL430674 | 0.78 | MTNR1A (0.61) | HDAC1HDAC2HDAC10HDAC11HDAC8 | |
| SCHEMBL429270 | 0.78 | HDAC3 (0.50) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| SCHEMBL27782422 | 0.77 | HDAC3 (0.47) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| Ammonia Solution, Strong SCHEMBL4552719 | 0.77 | HDAC3 (0.49) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| SCHEMBL4553401 | 0.76 | MTNR1A (0.58) | HDAC1HDAC2HDAC10HDAC11HDAC8 | |
| SCHEMBL431259 | 0.74 | SRD5A1 (0.41) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| SCHEMBL429548 | 0.73 | MTNR1A (0.50) | HDAC3HDAC1HDAC7HDAC2HDAC10 | |
| SCHEMBL27760888 | 0.73 | HDAC3 (0.48) | HDAC3HDAC1HDAC7HDAC2HDAC10 |
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-2134678-A2 | N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN | Abbott Laboratories (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008079683-A2 | N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | WO | disclosed |