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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL569646 | 0.83 | TDP1 (0.47) | TDP1ALDH1A1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL14962768 | 0.83 | TDP1 (0.43) | TDP1ALDH1A1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL570263 | 0.82 | TDP1 (0.46) | TDP1ALDH1A1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL942133 | 0.77 | CES1 (0.54) | TDP1ALDH1A1TAS1R3TAS1R1CES1 | |
| SCHEMBL6314102 | 0.71 | ALDH1A1 (0.39) | TDP1ALDH1A1TAS1R3TAS1R1GAA | |
| SCHEMBL23419327 | 0.70 | ALDH1A1 (0.46) | TDP1ALDH1A1TAS1R3TAS1R1MEN1 | |
| SCHEMBL10001141 | 0.70 | ALDH1A1 (0.46) | TDP1ALDH1A1TAS1R3TAS1R1MEN1 | |
| Lithium Ion SCHEMBL4344880 | 0.69 | ALDH1A1 (0.50) | TDP1ALDH1A1TAS1R3TAS1R1CA2 | |
| SCHEMBL803878 | 0.68 | ALDH1A1 (0.44) | TDP1ALDH1A1TAS1R3TAS1R1MEN1 | |
| SCHEMBL21599241 | 0.68 | TAS1R3 (0.43) | TDP1ALDH1A1TAS1R3TAS1R1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708254-B2 | Superacid functional compounds | ARKEMA INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20130131201-A1 | SUPERACID FUNCTIONAL COMPOUNDS | ARKEMA INC. (US) | 2013-05-23 | — | — | US | disclosed |
| WO-2012018709-A2 | SUPERACID FUNCTIONAL COMPOUNDS | ARKEMA INC. (US) | 2012-02-09 | — | — | 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 (1 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-20130131201-A1 | SUPERACID FUNCTIONAL COMPOUNDS | AFF1, AFF2, AFF4 | TDP1 2912/4885ALDH1A1 1657/4885TAS1R3 485/4885 |
“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.