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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 13/20 | 0.57 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL430674 | 0.96 | MTNR1A (0.61) | MTNR1AMTNR1BPOLBHDAC1HDAC2 | |
| SCHEMBL4553401 | 0.93 | MTNR1A (0.58) | MTNR1AMTNR1BPOLBHDAC1HDAC2 | |
| SCHEMBL10688284 | 0.82 | MTNR1A (0.62) | MTNR1AMTNR1BPOLBHDAC1HDAC2 | |
| Lithium Ion SCHEMBL4428201 | 0.82 | HDAC3 (0.43) | MTNR1AMTNR1BHDAC1HDAC2HDAC10 | |
| SCHEMBL431428 | 0.77 | HDAC3 (0.45) | MTNR1AMTNR1BHDAC1HDAC2HDAC10 | |
| Lithium Ion SCHEMBL4553780 | 0.77 | MTNR1A (0.52) | MTNR1APOLB | |
| SCHEMBL28422916 | 0.76 | MTNR1A (0.58) | MTNR1AMTNR1BPOLBHDAC1HDAC2 | |
| SCHEMBL22262519 | 0.75 | MTNR1A (0.56) | MTNR1AMTNR1BPOLB | |
| SCHEMBL22262517 | 0.75 | MTNR1A (0.56) | MTNR1AMTNR1BPOLB | |
| SCHEMBL29659985 | 0.75 | MTNR1A (0.56) | MTNR1AMTNR1BPOLB |
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 |