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 | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 1/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3427619 | 0.99 | PKN1 (0.51) | PKN1PKN2ADORA3APEX1NPC1 | |
| SCHEMBL3425482 | 0.97 | PKN1 (0.50) | PKN1PKN2ADORA3APEX1NPC1 | |
| Lithium Ion SCHEMBL3425483 | 0.89 | PKN1 (0.50) | PKN1PKN2ADORA3APEX1NPC1 | |
| SCHEMBL3947018 | 0.83 | PKN1 (0.55) | PKN1PKN2ADORA3NPC1ALDH1A1 | |
| SCHEMBL6995989 | 0.83 | PKN1 (0.57) | PKN1PKN2ADORA3APEX1NPC1 | |
| SCHEMBL8598342 | 0.80 | GAA (0.56) | PKN1PKN2ADORA3ALDH1A1MAPT | |
| SCHEMBL4888425 | 0.80 | PKN1 (0.55) | PKN1PKN2ADORA3APEX1NPC1 | |
| SCHEMBL15228495 | 0.80 | PKN1 (0.55) | PKN1PKN2ADORA3APEX1NPC1 | |
| Hydrochloric Acid SCHEMBL4882337 | 0.79 | PKN1 (0.53) | PKN1PKN2ADORA3APEX1NPC1 | |
| SCHEMBL1892570 | 0.78 | KDM4E (0.52) | PKN1PKN2ADORA3ALDH1A1MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620391-B1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2014-01-15 | — | — | EP | disclosed |
| US-7696205-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-13 | — | — | US | disclosed |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-08 | — | — | US | disclosed |
| US-7291615-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-06 | — | — | US | disclosed |
| EP-1620391-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-10-31 | — | — | EP | disclosed |
| EP-1620391-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-02-01 | — | — | EP | disclosed |
| US-20040235836-A1 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-25 | — | — | US | disclosed |
| WO-2004098516-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-18 | — | — | 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-20040235836-A1 | Cyclic derivatives as modulators of chemokine receptor activity | CCL11, CCR1, CCL2 | PKN1 3727/4885PKN2 4766/4885ADORA3 823/4885 |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | CCL11, CCL2, CCR1 | PKN1 4163/4885PKN2 4820/4885ADORA3 779/4885 |
“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.