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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 10/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL431801 | 0.95 | MTNR1A (0.56) | MTNR1AHTR2AMEN1USP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6445199 | 0.94 | MTNR1A (0.55) | MTNR1AHTR2AMEN1USP2ALDH1A1 | |
| SCHEMBL4553781 | 0.92 | MTNR1A (0.53) | MTNR1AHTR2AMEN1USP2ALDH1A1 | |
| SCHEMBL22298024 | 0.80 | MTNR1A (0.61) | MTNR1AMEN1USP2ALDH1A1CDK4 | |
| SCHEMBL22364516 | 0.80 | MTNR1A (0.61) | MTNR1AMEN1USP2ALDH1A1CDK4 | |
| SCHEMBL19046964 | 0.79 | MTNR1A (0.53) | MTNR1AMEN1USP2ALDH1A1CDK4 | |
| SCHEMBL21890123 | 0.79 | MTNR1A (0.53) | MTNR1AMEN1USP2ALDH1A1CDK4 | |
| SCHEMBL19047007 | 0.79 | MTNR1A (0.53) | MTNR1AMEN1USP2ALDH1A1CDK4 | |
| SCHEMBL9470084 | 0.79 | MTNR1A (0.59) | MTNR1AHTR2AMEN1USP2ALDH1A1 | |
| SCHEMBL21081149 | 0.78 | MTNR1A (0.58) | MTNR1AMEN1USP2ALDH1A1CDK4 |
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 |