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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RPA1 | P27694 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2917233 | 0.88 | RPA1 (0.48) | MEN1KMT2ARPA1SMN1; SMN2 | |
| SCHEMBL4470894 | 0.87 | RPA1 (0.47) | MEN1KMT2ARPA1SMN1; SMN2 | |
| SCHEMBL2917819 | 0.84 | CA9 (0.50) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL5512369 | 0.83 | CNR1 (0.41) | PTGS1PTGS2NPC1TP53RAB9A | |
| SCHEMBL2915620 | 0.81 | MGLL (0.53) | GRM5MALT1NTRK1 | |
| SCHEMBL14529765 | 0.81 | PDE4B (0.37) | PTGS1PTGS2SMN1; SMN2SLC16A3SLC16A1 | |
| SCHEMBL14529441 | 0.78 | KDM4E (0.44) | GRM5HTTNTRK1 | |
| SCHEMBL14529445 | 0.78 | KDM1A (0.45) | PTGS1PTGS2MALT1NTRK1 | |
| SCHEMBL13637493 | 0.78 | PTGS1 (0.41) | PTGS1PTGS2NPC1TP53RAB9A | |
| SCHEMBL14529434 | 0.76 | MALT1 (0.49) | PTGS1PTGS2MEN1KMT2ASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20070219210-A1 | Amidopyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-20 | — | — | US | disclosed |
| EP-1698626-A1 | AMIDOPYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | 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-20060128685-A1 | Pyrazole derivative | PTGS1, PTGS2, PTGER1 | PTGS1 1/4885PTGS2 2/4885P4HTM 2882/4885 |
| US-20070219210-A1 | Amidopyrazole Derivative | PTGER1, PTGS1, PTGER2 | PTGS1 2/4885PTGS2 4/4885P4HTM 1499/4885 |
“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.