Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28574286 | 0.98 | ACHE (0.38) | CYP2A6ALDH1A1ACHEPTPN1SMN1; SMN2 | |
| SCHEMBL8727736 | 0.93 | ACHE (0.33) | CYP2A6ALDH1A1ACHEPTPN1SMN1; SMN2 | |
| SCHEMBL10168165 | 0.86 | CYP2A6 (0.40) | CYP2A6ALDH1A1ACHEPTPN1SMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL4887199 | 0.83 | KCNH2 (0.42) | ALDH1A1ACHEKDM4EKCNH2 | |
| SCHEMBL6088423 | 0.78 | ALDH1A1 (0.36) | CYP2A6ALDH1A1CYP3A4KDM4EMAPT | |
| Iodide SCHEMBL6660743 | 0.73 | KDM4E (0.40) | CYP2A6ALDH1A1SMN1; SMN2CYP3A4KDM4E | |
| SCHEMBL384487 | 0.72 | TERT (0.43) | CYP2A6ALDH1A1ACHEPTPN1SMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL4884747 | 0.71 | KCNH2 (0.41) | ACHEKCNH2 | |
| SCHEMBL1044982 | 0.71 | ACHE (0.47) | CYP2A6ALDH1A1ACHESMN1; SMN2KDM4E | |
| SCHEMBL15632277 | 0.71 | KDM4E (0.39) | ALDH1A1ACHESMN1; SMN2CYP3A4KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643698-B1 | SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR THEIR IMPLEMENTATION | OXIS INT SA (FR) | 1997-03-05 | — | — | EP | claimed |
| EP-0643698-B1 | SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR THEIR IMPLEMENTATION | OXIS INT SA (FR) | 1997-03-05 | — | — | EP | disclosed |
| WO-1993013071-A1 | SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR IMPLEMENTING SAME | BIOXYTECH (FR) | 1993-07-08 | — | — | WO | disclosed |