Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL611789 | 0.94 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Fluoride SCHEMBL9737266 | 0.89 | — | — | |
| Potassium Ion SCHEMBL8666799 | 0.88 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Potassium Ion SCHEMBL1330744 | 0.88 | — | — | |
| Potassium Ion SCHEMBL27593062 | 0.88 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL109132 | 0.88 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Potassium Ion SCHEMBL10443095 | 0.88 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Potassium Ion SCHEMBL22826 | 0.88 | — | — | |
| Potassium Ion SCHEMBL1332309 | 0.88 | — | — | |
| SCHEMBL25203586 | 0.82 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR |
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-104178811-B | Potassium fluoborate and potassium fluoborate nonlinear optical crystal and preparation method and application thereof | 中国科学院理化技术研究所 | 2017-02-08 | — | — | CN | disclosed |