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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7046489 | 0.90 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EPKMLMNA | |
| SCHEMBL5530337 | 0.83 | CTSS (0.56) | ALDH1A1SMN1; SMN2KDM4ETSHRCYP2D6 | |
| SCHEMBL7591245 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPKMTSHR | |
| Lithium Ion SCHEMBL5530714 | 0.81 | CYP3A4 (0.54) | ALDH1A1SMN1; SMN2KDM4EPKMGAA | |
| Lithium Ion SCHEMBL5521688 | 0.78 | CTSS (0.48) | SMN1; SMN2POLBCTSLCTSBCTSS | |
| Lithium Ion SCHEMBL5523630 | 0.77 | CTSS (0.61) | SMN1; SMN2PKMCTSLCTSBCTSS | |
| SCHEMBL7046490 | 0.75 | PKM (0.54) | ALDH1A1SMN1; SMN2KDM4EPKMLMNA | |
| SCHEMBL5526532 | 0.74 | PKM (0.53) | ALDH1A1SMN1; SMN2KDM4EPKMLMNA | |
| Lithium Ion SCHEMBL5520630 | 0.73 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EGAAPOLB | |
| SCHEMBL6866910 | 0.71 | CYP3A4 (0.57) | ALDH1A1SMN1; SMN2KDM4EPKMGAA |
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-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | US | disclosed |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | US | disclosed |
| EP-1178958-B1 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030096796-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | US | disclosed |
| US-6455502-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-09-24 | — | — | 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 (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-20030096796-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885SMN1; SMN2 3462/4885KDM4E 2428/4885 |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885SMN1; SMN2 3462/4885KDM4E 2428/4885 |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885SMN1; SMN2 3462/4885KDM4E 2428/4885 |
“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.