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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22159239 | 0.84 | HDAC3 (0.51) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL63616 | 0.84 | HDAC3 (0.54) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL28314039 | 0.83 | HDAC3 (0.53) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| Ethylene SCHEMBL29031111 | 0.82 | HDAC3 (0.52) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL25693065 | 0.81 | HDAC3 (0.57) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL64453 | 0.81 | HRH3 (0.54) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL20132431 | 0.81 | HDAC3 (0.57) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL732967 | 0.79 | HDAC3 (0.58) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| Lithium Ion SCHEMBL20163132 | 0.79 | MEN1 (0.57) | CYP2C19LMNASMN1; SMN2MAPTKMT2A | |
| SCHEMBL20207616 | 0.78 | HDAC3 (0.46) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-11542242-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | REGENACY PHARMACEUTICALS, LLC (US) | 2023-01-03 | — | — | US | disclosed |
| US-20220281833-A1 | SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC | 2022-09-08 | — | — | US | disclosed |
| US-20200377465-A1 | SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC | 2020-12-03 | — | — | US | disclosed |
| US-10774056-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | REGENACY PHARMACEUTICALS, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| US-20190330169-A1 | SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC | 2019-10-31 | — | — | US | disclosed |
| EP-3544969-A1 | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | Regenacy Pharmaceuticals, LLC (US) | 2019-10-02 | — | — | EP | disclosed |
| US-10385031-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | REGENACY PHARMACEUTICALS, LLC (US) | 2019-08-20 | — | — | US | disclosed |
| WO-2018098296-A1 | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC (US) | 2018-05-31 | — | — | WO | disclosed |
| US-20180141923-A1 | SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC | 2018-05-24 | — | — | 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 (7 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-10385031-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | HDAC1, HDAC2, HDAC11 | HDAC3 7/4885HDAC2 2/4885CYP1A2 1862/4885 |
| US-11542242-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | HDAC1, HDAC2, HDAC11 | HDAC3 8/4885HDAC2 2/4885CYP1A2 1585/4885 |
| US-20180141923-A1 | SELECTIVE HDAC1,2 INHIBITORS | HDAC1, HDAC2, HDAC11 | HDAC3 6/4885HDAC2 2/4885CYP1A2 3062/4885 |
| US-20220281833-A1 | SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS | HDAC1, HDAC2, HDAC11 | HDAC3 7/4885HDAC2 2/4885CYP1A2 2376/4885 |
| US-10774056-B2 | Substituted piperazines as selective HDAC1,2 inhibitors | HDAC1, HDAC2, HDAC11 | HDAC3 7/4885HDAC2 2/4885CYP1A2 2182/4885 |
| US-20200377465-A1 | SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS | HDAC1, HDAC2, HDAC11 | HDAC3 7/4885HDAC2 2/4885CYP1A2 2376/4885 |
| US-20190330169-A1 | SELECTIVE HDAC1,2 INHIBITORS | HDAC1, HDAC2, HDAC11 | HDAC3 6/4885HDAC2 2/4885CYP1A2 3062/4885 |
“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.