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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7616779 | 0.98 | S1PR1 (0.53) | S1PR1MMP2MMP13FFAR1FFAR4 | |
| SCHEMBL7618101 | 0.86 | S1PR1 (0.62) | S1PR1FFAR1MAOBHPGDMAOA | |
| SCHEMBL7708003 | 0.82 | S1PR1 (0.52) | S1PR1MMP2MMP13FFAR1FFAR4 | |
| SCHEMBL7615649 | 0.81 | HTR1A (0.48) | S1PR1TP53HPGDPOLB | |
| SCHEMBL7614630 | 0.78 | S1PR1 (0.69) | S1PR1MMP2POLB | |
| SCHEMBL7616917 | 0.78 | S1PR1 (0.69) | S1PR1MMP2POLB | |
| SCHEMBL7615963 | 0.78 | S1PR1 (0.69) | S1PR1MMP2POLB | |
| SCHEMBL7615636 | 0.78 | S1PR1 (0.42) | S1PR1 | |
| Hydrochloric Acid SCHEMBL7619733 | 0.75 | S1PR1 (0.54) | S1PR1FFAR1HPGD | |
| SCHEMBL13645874 | 0.72 | MGLL (0.39) | S1PR1MMP2MMP13MAOBMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778263-B1 | BENZENE COMPOUND AND MEDICINAL USE THEREOF | WELFIDE CORP (JP) | 2002-01-09 | — | — | EP | disclosed |