Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Fluoride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | LYPLA1 | O75608 | 2/20 | 0.40 |
| ▸ | LYPLA2 | O95372 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28238302 | 0.84 | ALDH1A1 (0.52) | CA2DNM1LYPLA1LYPLA2THRB | |
| Iodide SCHEMBL28053235 | 0.84 | CA2 (0.67) | CA2FAAHCA1CA9 | |
| Fluoride SCHEMBL28274598 | 0.84 | CA2 (0.67) | CA2FAAHCA1CA9 | |
| Fluoride SCHEMBL28301247 | 0.84 | CA2 (0.67) | CA2FAAHCA1CA9 | |
| Fluoride SCHEMBL28417280 | 0.84 | CA2 (0.67) | CA2FAAHCA1CA9 | |
| Ethane SCHEMBL28254314 | 0.82 | CA2 (0.64) | CA2FAAHCA1CA9 | |
| Ethane SCHEMBL28044860 | 0.82 | CA2 (0.64) | CA2FAAHCA1CA9 | |
| SCHEMBL14932176 | 0.82 | ALDH1A1 (0.48) | CA2DNM1LYPLA1LYPLA2THRB | |
| SCHEMBL277384 | 0.82 | CA2 (0.70) | CA2FAAHCA1CA9 | |
| SCHEMBL11963130 | 0.82 | CA2 (0.70) | CA2FAAHCA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105778867-B | A kind of solidifying type wet type control dirt wetting agent of anatonosis rush | 山东科技大学 | 2018-08-14 | — | — | CN | disclosed |