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 | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425399 | 0.96 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL4686736 | 0.91 | CA1 (0.57) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL28357735 | 0.83 | LOXL2 (0.57) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL294284 | 0.82 | LOXL2 (0.55) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL515030 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL1425484 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL515031 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL6940919 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL2999944 | 0.80 | CA2 (0.59) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL294285 | 0.80 | LOXL2 (0.59) | LOXL2HTTTSHRMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6160169-A | Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-12 | — | — | US | disclosed |
| US-5892105-A | Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-06 | — | — | US | disclosed |