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.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.38 |
| ▸ | NOS1 | P29475 | 6/20 | 0.38 |
| ▸ | NOS2 | P35228 | 6/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.33 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL78986 | 0.95 | — | — | |
| SCHEMBL29512993 | 0.95 | — | — | |
| SCHEMBL12648083 | 0.77 | — | — | |
| SCHEMBL30716708 | 0.77 | — | — | |
| SCHEMBL10255501 | 0.75 | — | — | |
| SCHEMBL30828998 | 0.75 | — | — | |
| SCHEMBL259696 | 0.75 | — | — | |
| SCHEMBL1255045 | 0.73 | — | — | |
| SCHEMBL30423024 | 0.73 | — | — | |
| SCHEMBL13354601 | 0.73 | — | — |
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-110035661-A | Heteroaryl trifluoroborate compounds for the treatment of mycobacterial infections | 结核病药物开发全球联盟公司 | 2019-07-19 | — | — | CN | disclosed |