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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 9/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RHEB | Q15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL2217442 | 0.86 | GPBAR1 (0.46) | GPBAR1SLC6A2SLC6A4SLC6A3RHEB | |
| SCHEMBL2217046 | 0.85 | SLC6A2 (0.46) | GPBAR1SLC6A2SLC6A4SLC6A3 | |
| Lithium Ion SCHEMBL2216491 | 0.77 | SMN1; SMN2 (0.40) | GPBAR1CYP1A2CYP2C9CYP2C19RHEB | |
| SCHEMBL2214278 | 0.70 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2217321 | 0.68 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9488215 | 0.68 | RHEB (0.55) | GPBAR1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL2216495 | 0.68 | SMN1; SMN2 (0.51) | GPBAR1CYP1A2CYP2C9CYP2C19RHEB | |
| SCHEMBL2216478 | 0.67 | GPBAR1 (0.69) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28117569 | 0.67 | GPBAR1 (0.53) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25310724 | 0.66 | TP53 (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526096-B1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2015-04-22 | — | — | EP | disclosed |
| US-8729091-B2 | 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-20130150372-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8420647-B2 | 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | disclosed |
| WO-2011089099-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | WO | disclosed |
| US-20110178089-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2011-07-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130150372-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | P2RY1, GPBAR1, ADORA1 | GPBAR1 2/4885SLC6A2 663/4885SLC6A4 1382/4885 |
| US-20110178089-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | P2RY1, GPBAR1, ADORA1 | GPBAR1 2/4885SLC6A2 663/4885SLC6A4 1382/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.