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 | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3428192 | 0.84 | HRH4 (0.52) | HRH4NR3C1PGRNR3C2KDM4E | |
| Lithium Ion SCHEMBL3424001 | 0.81 | MTNR1A (0.43) | NR3C1PGRNR3C2KDM4EPOLB | |
| SCHEMBL1145047 | 0.72 | HRH4 (0.60) | HRH4KDM4ESMN1; SMN2MEN1KMT2A | |
| Lithium Ion SCHEMBL3422654 | 0.70 | NR3C1 (0.40) | NR3C1PGRNR3C2KIF11 | |
| SCHEMBL3418623 | 0.69 | DAO (0.64) | HRH4KDM4ESMN1; SMN2MEN1KMT2A | |
| Lithium Ion SCHEMBL3367542 | 0.69 | CHEK1 (0.44) | KDM4EHPGD | |
| SCHEMBL29519582 | 0.68 | LOXL2 (0.53) | KDM4EALDH1A1HPGDHDAC3HDAC1 | |
| Zinc Ion SCHEMBL30949481 | 0.68 | LOXL2 (0.53) | KDM4EALDH1A1HPGDHDAC3HDAC1 | |
| Potassium Ion SCHEMBL28590311 | 0.68 | LOXL2 (0.53) | KDM4EALDH1A1HPGDHDAC3HDAC1 | |
| SCHEMBL31422983 | 0.68 | HRH4 (0.46) | HRH4KDM4ESMN1; SMN2MEN1KMT2A |
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 | HRH4 353/4885NR3C1 191/4885PGR 3724/4885 |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | CCL11, CCL2, CCR1 | HRH4 343/4885NR3C1 215/4885PGR 3596/4885 |
“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.