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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 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 | |
|---|---|---|---|---|
| SCHEMBL19651232 | 0.86 | NR4A1 (0.42) | CYP19A1PKMMAPKAPK2GAACYP11B2 | |
| SCHEMBL19639805 | 0.81 | HTT (0.43) | CYP19A1PKMMAPKAPK2GAACYP11B2 | |
| Lithium Ion SCHEMBL19639803 | 0.75 | CA1 (0.45) | CA1CA2 | |
| SCHEMBL4400768 | 0.72 | ALDH1A1 (0.56) | CYP19A1MAPKAPK2GAAPDE4BICMT | |
| SCHEMBL17819307 | 0.72 | CYP19A1 (0.46) | CYP19A1MAPKAPK2CYP11B2GRM1ICMT | |
| SCHEMBL19639785 | 0.70 | ELANE (0.41) | PKM | |
| SCHEMBL27303560 | 0.69 | CYP19A1 (0.43) | CYP19A1MAPKAPK2CYP11B2ICMT | |
| SCHEMBL17630186 | 0.69 | ADH5 (0.54) | CYP19A1MAPKAPK2GAAICMT | |
| SCHEMBL27325095 | 0.69 | PDE4A (0.45) | CYP19A1PKMMAPKAPK2GAACYP11B2 | |
| SCHEMBL8694857 | 0.68 | MAPKAPK2 (0.50) | CYP19A1MAPKAPK2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3464269-B1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE | CHIESI FARM SPA (IT) | 2020-04-01 | — | — | EP | disclosed |
| EP-3464268-B1 | NOVEL COMPOUNDS | CHIESI FARM SPA (IT) | 2020-03-11 | — | — | EP | disclosed |
| EP-3464269-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED | Chiesi Farmaceutici S.p.A. (IT) | 2019-04-10 | — | — | EP | disclosed |
| US-10172830-B2 | Pyrazolone compounds having human neutrophil elastase inhibitory properties | CHIESI FARMACEUTICI S.P.A. (IT) | 2019-01-08 | — | — | US | disclosed |
| WO-2017207433-A9 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-03-01 | — | — | WO | disclosed |
| US-9862706-B2 | Compounds | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-01-09 | — | — | US | disclosed |
| WO-2017207433-A1 | HETETOCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED | CHIESI FARMACEUTICI S.P.A. (IT) | 2017-12-07 | — | — | WO | disclosed |
| US-20170340611-A1 | NOVEL COMPOUNDS | CHIESI FARMACEUTICI S.P.A. (IT) | 2017-11-30 | — | — | US | disclosed |
| US-20170342056-A1 | NOVEL COMPOUNDS | CHIESI FARMACEUTICI S.P.A. (IT) | 2017-11-30 | — | — | 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 (3 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-20170340611-A1 | NOVEL COMPOUNDS | SERPINB1, ELANE, MPO | CA1 4750/4885CA2 4723/4885CYP19A1 3427/4885 |
| US-20170342056-A1 | NOVEL COMPOUNDS | SERPINB1, ELANE, MPO | CA1 4649/4885CA2 4618/4885CYP19A1 3162/4885 |
| US-10172830-B2 | Pyrazolone compounds having human neutrophil elastase inhibitory properties | SERPINB1, ELANE, EPX | CA1 4686/4885CA2 4616/4885CYP19A1 3365/4885 |
“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.