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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2329020 | 0.96 | PTPN1 (0.67) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL2330752 | 0.83 | PTPN1 (0.93) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL27790021 | 0.83 | PTPN1 (0.73) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| Lithium Ion SCHEMBL17377391 | 0.83 | SMPD1 (0.63) | PTPN1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1222382 | 0.81 | PTPN1 (0.89) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| Hydrochloric Acid SCHEMBL19118776 | 0.81 | PTPN1 (0.89) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL2329015 | 0.81 | PTPN1 (0.89) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| Hydrochloric Acid SCHEMBL27933403 | 0.81 | PTPN1 (0.71) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL893125 | 0.80 | PTPN1 (0.69) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL3093950 | 0.80 | PTPN1 (0.69) | PTPN1ALDH1A1SMN1; SMN2GAANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110046134-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE | BISCHOFF ALEXANDER | 2011-02-24 | — | — | US | disclosed |
| US-7842696-B2 | Piperazine derivatives as inhibitors of stearoyl-CoA desaturase | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-30 | — | — | US | disclosed |
| US-20090221583-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2009-09-03 | — | — | US | disclosed |
| WO-2008157844-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-12-24 | — | — | WO | 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-20110046134-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE | SCD, SCD5, FADS2 | PTPN1 4580/4885ALDH1A1 969/4885SMN1; SMN2 4076/4885 |
| US-20090221583-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE | SCD, SCD5, FADS2 | PTPN1 4580/4885ALDH1A1 969/4885SMN1; SMN2 4076/4885 |
“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.