Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.96 |
| ▸ | HPGD | P15428 | 1/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.96 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5969356 | 0.71 | MEN1 (1.00) | ALDH1A1KDM4ECYP3A4CYP2D6HPGD | |
| SCHEMBL31150554 | 0.71 | MEN1 (1.00) | ALDH1A1KDM4ECYP3A4CYP2D6HPGD | |
| Vinervine SCHEMBL30046744 | 0.57 | MEN1 (0.74) | ALDH1A1KDM4ECYP3A4CYP2D6HPGD | |
| Hydrochloric Acid SCHEMBL31650965 | 0.53 | CHRNA7 (1.00) | ALDH1A1CHRNA7 | |
| SCHEMBL22879458 | 0.49 | ALDH1A1 (0.45) | ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL19216470 | 0.48 | GSK3B (0.59) | ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL2573765 | 0.48 | GSK3B (0.59) | ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL30548926 | 0.48 | GSK3B (0.59) | ALDH1A1HSD17B10MEN1KMT2A | |
| Acetaldehyde SCHEMBL27702738 | 0.48 | ATM (0.36) | ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL3524191 | 0.48 | ALDH1A1 (0.48) | ALDH1A1HSD17B10MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10004701-B2 | Methods and compositions for treating infection | UNIVERSITY OF ROCHESTER (US) | 2018-06-26 | — | — | US | disclosed |
| US-20170065540-A1 | METHODS AND COMPOSITIONS FOR TREATING INFECTION | UNIVERSITY OF ROCHESTER (US) | 2017-03-09 | — | — | US | disclosed |
| US-9393221-B2 | Methods and compounds for reducing intracellular lipid storage | THE GENERAL HOSPITAL CORPORATION (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150238473-A1 | METHODS AND COMPOSITIONS FOR TREATING INFECTION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-08-27 | — | — | US | disclosed |
| US-20130023488-A1 | METHODS AND COMPOUNDS FOR REDUCING INTRACELLULAR LIPID STORAGE | THE GENERAL HOSPITAL CORPORATION (US) | 2013-01-24 | — | — | US | disclosed |
| US-20110269141-A1 | TARGET PROTEIN AND TARGET GENE FOR DRUG DISCOVERY, AND SCREENING METHOD | REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) | 2011-11-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150238473-A1 | METHODS AND COMPOSITIONS FOR TREATING INFECTION | MMP8, IFNG, MPO | ALDH1A1 2568/4885KDM4E 3975/4885CYP3A4 2777/4885 |
| US-20170065540-A1 | METHODS AND COMPOSITIONS FOR TREATING INFECTION | MMP8, IFNG, MPO | ALDH1A1 2568/4885KDM4E 3975/4885CYP3A4 2777/4885 |
| US-10004701-B2 | Methods and compositions for treating infection | MMP8, IFNG, MPO | ALDH1A1 2568/4885KDM4E 3975/4885CYP3A4 2777/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.