Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Fluoride Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL1030695 | 0.87 | — | — | |
| SCHEMBL1033917 | 0.72 | — | — | |
| Potassium Ion SCHEMBL29586059 | 0.63 | — | — | |
| SCHEMBL12930948 | 0.62 | — | — | |
| SCHEMBL18506487 | 0.62 | — | — | |
| SCHEMBL14651118 | 0.62 | — | — | |
| Fluoride Ion SCHEMBL30977280 | 0.61 | — | — | |
| SCHEMBL34463213 | 0.59 | — | — | |
| Potassium Ion SCHEMBL6889359 | 0.58 | — | — | |
| Fluoride Ion SCHEMBL29029426 | 0.58 | — | — |
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-117751107-A | Organic pyridine-pyrazole compounds and uses thereof | 博善人工智能剑桥有限公司 | 2024-03-22 | — | — | CN | disclosed |