Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8318307 | 1.00 | ALDH1A1 (0.31) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL8316823 | 1.00 | ALDH1A1 (0.31) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL7759296 | 1.00 | ALDH1A1 (0.31) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL8316819 | 1.00 | ALDH1A1 (0.31) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL722265 | 0.77 | ALDH1A1 (0.32) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL9542609 | 0.77 | CA1 (0.41) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL11141833 | 0.75 | TLR4 (0.33) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL4664526 | 0.75 | ALDH1A1 (0.31) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL11811355 | 0.75 | TLR4 (0.33) | ALDH1A1GAAMAPTTP53HPGD | |
| SCHEMBL4706187 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741730-B1 | 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO 2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS | ALLIED SIGNAL INC (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0842177-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | AlliedSignal Inc. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997042193-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | ALLIEDSIGNAL INC. (US) | 1997-11-13 | — | — | WO | disclosed |
| US-5631372-A | Process for the manufacture of 1-substituted-4-fluoro-1,4-diazoniabicyclo[2.] octane salts | ALLIEDSIGNAL INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5606084-A | Process of fluorinating organic compounds with 1-substituted-4-fluoro-1,4-diazoniabicyclo octane salts | ALLIEDSIGNAL INC. (US) | 1997-02-25 | — | — | US | disclosed |
| EP-0741730-A1 | 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO 2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS | AlliedSignal Inc. (US) | 1996-11-13 | — | — | EP | disclosed |
| US-5459267-A | 1-substituted-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane salts and their application as fluorinating agents | ALLIEDSIGNAL INC. (US) | 1995-10-17 | — | — | US | disclosed |
| WO-1995017404-A1 | 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS | ALLIEDSIGNAL, INC. (US) | 1995-06-29 | — | — | WO | disclosed |