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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | F9 | P00740 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3372786 | 0.86 | MAOB (0.46) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL3423976 | 0.85 | MAOB (0.46) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL10896012 | 0.85 | MAOB (0.46) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL10896019 | 0.81 | IDO1 (0.42) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL4556153 | 0.80 | TDP1 (0.47) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL16176685 | 0.77 | CACNA1H (0.51) | NTRK1NTRK2F9CACNA1GCACNA1B | |
| Lithium Ion SCHEMBL3427753 | 0.77 | CACNA1H (0.41) | CACNA1GCACNA1BCACNA1H | |
| SCHEMBL9570340 | 0.77 | PDE10A (0.47) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL9597974 | 0.77 | PDE10A (0.47) | MAOBNTRK1NTRK2F9PDE10A | |
| SCHEMBL10284701 | 0.77 | DDAH1 (0.53) | PDE10ACACNA1HIDO1KDM4EALDH1A1 |
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-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 |
| US-20040235836-A1 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-25 | — | — | 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 (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 | MAOB 3170/4885NTRK1 3322/4885NTRK2 2270/4885 |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | CCL11, CCL2, CCR1 | MAOB 3083/4885NTRK1 3128/4885NTRK2 2027/4885 |
“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.