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 | |
|---|---|---|---|---|
| ▸ | TMPRSS4 | Q9NRS4 | 5/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | CCR9 | P51686 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HSPH1 | Q92598 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 Ion SCHEMBL8063209 | 0.91 | GRIK1 (0.47) | TMPRSS4P2RX1P2RX4P2RX7DHODH | |
| SCHEMBL8064143 | 0.89 | KDM4E (0.53) | TMPRSS4P2RX1P2RX4P2RX7DHODH | |
| SCHEMBL8064144 | 0.89 | KDM4E (0.53) | TMPRSS4P2RX1P2RX4P2RX7DHODH | |
| SCHEMBL8065170 | 0.88 | KDM4E (0.52) | TMPRSS4P2RX1P2RX4P2RX7DHODH | |
| SCHEMBL8065176 | 0.88 | KDM4E (0.52) | TMPRSS4P2RX1P2RX4P2RX7DHODH | |
| Lithium Ion SCHEMBL8048870 | 0.84 | TRPM8 (0.57) | DHODHTRPM8KDM4ERAB9APTGS1 | |
| SCHEMBL8058427 | 0.82 | GRIK1 (0.61) | DHODHTRPM8PPARGPPARDNR1H4 | |
| SCHEMBL8058422 | 0.82 | GRIK1 (0.61) | DHODHTRPM8PPARGPPARDNR1H4 | |
| SCHEMBL8060374 | 0.82 | TRPM8 (0.57) | DHODHTRPM8KDM4ERAB9APTGS1 | |
| SCHEMBL8063210 | 0.81 | GRIK1 (0.60) | DHODHTRPM8PPARGPPARDNR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6127392-A | A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-03 | — | — | US | claimed |
| EP-1003712-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-05-31 | — | — | EP | claimed |
| US-6046239-A | USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-04-04 | — | — | US | claimed |
| WO-1999007669-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| US-6127392-A | A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |
| EP-1003712-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| US-6046239-A | USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-04-04 | — | — | US | disclosed |
| WO-1999007669-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |