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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INMT | O95050 | 4/20 | 0.91 |
| ▸ | USP2 | O75604 | 2/20 | 0.91 |
| ▸ | ACHE | P22303 | 8/20 | 0.36 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL2401189 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL3047 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL17417853 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL6853620 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL2734323 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL10601682 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL16583523 | 0.96 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| Iodide SCHEMBL23365018 | 0.93 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 | |
| Ammonia Solution, Strong SCHEMBL6834929 | 0.93 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 | |
| Bromide SCHEMBL8469764 | 0.93 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |