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 | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Lithium SCHEMBL5930703 | 0.84 | AURKA (0.40) | ROS1RPS6KB1PRNPPPARGNPSR1 | |
| SCHEMBL5930695 | 0.84 | AURKA (0.40) | ROS1RPS6KB1RXFP1SLC22A12KMO | |
| SCHEMBL4807855 | 0.80 | CYP11B1 (0.41) | ROS1RPS6KB1RXFP1EGFRKDM4E | |
| Hydrochloric Acid SCHEMBL4809984 | 0.79 | CYP11B1 (0.41) | ROS1RPS6KB1RXFP1EGFRKDM4E | |
| SCHEMBL25220826 | 0.78 | CHEK1 (0.39) | ROS1RPS6KB1RXFP1KDM4EALDH1A1 | |
| SCHEMBL31165770 | 0.78 | CHEK1 (0.39) | ROS1RPS6KB1RXFP1KDM4EALDH1A1 | |
| SCHEMBL27476951 | 0.74 | ALDH1A1 (0.38) | KDM4EALDH1A1GAA | |
| Lithium Ion SCHEMBL4809218 | 0.70 | PDE10A (0.44) | — | |
| SCHEMBL31165759 | 0.69 | RAB9A (0.45) | KDM4EALDH1A1 | |
| SCHEMBL31165831 | 0.69 | ALOX15 (0.40) | KDM4EALDH1A1PLGPLAUPLAT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | BHALAY GURDIP | 2006-08-03 | — | — | US | disclosed |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2006-05-18 | — | — | US | disclosed |
| US-7019136-B2 | 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS, AG (CH) | 2006-03-28 | — | — | US | disclosed |
| US-6919337-B2 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS, AG (CH) | 2005-07-19 | — | — | US | disclosed |
| US-20050054660-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | BHALAY GURDIP (GB) | 2005-03-10 | — | — | US | disclosed |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2004-02-26 | — | — | US | disclosed |
| EP-1268480-B1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | BHALAY GURDIP (GB) | 2003-09-11 | — | — | US | disclosed |
| US-20030114469-A1 | Combinations | COHEN DAVID SAUL (US) | 2003-06-19 | — | — | US | disclosed |
| EP-1268480-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | Novartis AG (CH) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077110-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2001-10-18 | — | — | 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 (6 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-20030114469-A1 | Combinations | GPR119, SLC5A1, HMGCR | ROS1 2771/4885RPS6KB1 1882/4885PRNP 3844/4885 |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | ROS1 2016/4885RPS6KB1 2510/4885PRNP 3932/4885 |
| US-20050054660-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | ROS1 2001/4885RPS6KB1 2424/4885PRNP 3854/4885 |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | ROS1 1338/4885RPS6KB1 2962/4885PRNP 3492/4885 |
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | ROS1 2001/4885RPS6KB1 2424/4885PRNP 3854/4885 |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | PDE5A, PDE3A, PDE2A | ROS1 1210/4885RPS6KB1 2654/4885PRNP 4072/4885 |
“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.