Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 5/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | MMP16 | P51512 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL1592826 | 0.85 | PKM (0.47) | MMP2MMP8MMP13CA12CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL361656 | 0.82 | KCNH2 (0.46) | KDM4EMMP2MMP12HTTLMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL5774596 | 0.78 | HSD17B10 (0.45) | KDM4EPOLBAKR1C3L3MBTL1MMP2 | |
| Trifluoroacetic Acid SCHEMBL7562496 | 0.77 | KDM4E (0.62) | KDM4EPOLBRXRARXRBRXRG | |
| SCHEMBL240822 | 0.77 | KDM4E (0.74) | KDM4EPOLBPTGS1AKR1C3AKR1C2 | |
| Trifluoromethanesulfonic Acid SCHEMBL5828338 | 0.76 | PKM (0.47) | PTGS1MMP2MMP8MMP13CA12 | |
| Hydrogen Sulfide SCHEMBL29062416 | 0.75 | KDM4E (0.72) | KDM4EPOLBPTGS1AKR1C3AKR1C2 | |
| SCHEMBL27952524 | 0.75 | KDM4E (0.72) | KDM4EPOLBPTGS1AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL2022863 | 0.75 | KDM4E (0.72) | KDM4EPOLBPTGS1AKR1C3AKR1C2 | |
| Trifluoromethanesulfonic Acid SCHEMBL30631665 | 0.75 | KCNH2 (0.48) | CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732865-A1 | FLUORIDATION METHOD | GE Healthcare Limited (GB) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097713-A1 | FLUORIDATION METHOD | GE HEALTHCARE LIMITED (GB) | 2005-10-20 | — | — | WO | disclosed |