Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8754136 | 0.93 | CYP2A6 (0.37) | ACHEPTPN1ALDH1A1CYP2A6MEN1 | |
| Iodide SCHEMBL28574286 | 0.91 | ACHE (0.38) | ACHEPTPN1ALDH1A1CYP2A6MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4887199 | 0.80 | KCNH2 (0.42) | ACHEALDH1A1KDM4E | |
| SCHEMBL10168165 | 0.79 | CYP2A6 (0.40) | ACHEPTPN1ALDH1A1CYP2A6MEN1 | |
| SCHEMBL6331349 | 0.76 | ACHE (0.44) | ACHEALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL10549481 | 0.72 | TERT (0.36) | ACHEPTPN1CYP2A6MEN1KMT2A | |
| SCHEMBL6088423 | 0.72 | ALDH1A1 (0.36) | ALDH1A1CYP2A6MEN1KMT2ACYP3A4 | |
| SCHEMBL6337322 | 0.71 | CYP2A6 (0.36) | ACHEPTPN1CYP2A6MEN1KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL4884747 | 0.69 | KCNH2 (0.41) | ACHE | |
| Iodide SCHEMBL6660743 | 0.68 | KDM4E (0.40) | ALDH1A1CYP2A6MEN1KMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5817520-A | USING A QUINOLINIUM INDICATOR | OXIS INTERNATIONAL S.A. (FR) | 1998-10-06 | — | — | US | 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 | claimed |
| US-5817520-A | USING A QUINOLINIUM INDICATOR | OXIS INTERNATIONAL S.A. (FR) | 1998-10-06 | — | — | US | disclosed |