Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | GBA1 | P04062 | 3/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375336 | 1.00 | GAA (0.59) | GAAGBA1SIGMAR1HRH3 | |
| SCHEMBL7695964 | 0.83 | SLC18A2 (0.56) | GAASIGMAR1HRH3 | |
| SCHEMBL7692425 | 0.83 | SLC18A2 (0.56) | GAASIGMAR1HRH3 | |
| SCHEMBL20734689 | 0.81 | SIGMAR1 (0.55) | GBA1SIGMAR1 | |
| SCHEMBL7694810 | 0.80 | SIGMAR1 (0.52) | GAAGBA1SIGMAR1 | |
| SCHEMBL27627908 | 0.80 | SPHK2 (0.66) | GBA1HRH3 | |
| SCHEMBL7691973 | 0.79 | GAA (0.47) | GAAGBA1SIGMAR1 | |
| SCHEMBL7279837 | 0.78 | SPHK2 (0.60) | GBA1 | |
| SCHEMBL29471350 | 0.78 | SPHK2 (0.60) | GBA1 | |
| SCHEMBL25689686 | 0.77 | GAA (0.54) | GAAGBA1SIGMAR1 |
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-1841423-A2 | USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3 HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS | Allergan, Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006081252-A2 | USE OF 1-BENZYL-1-HYDR0XY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS | ALLERGAN, INC. (US) | 2006-08-03 | — | — | WO | disclosed |
| WO-2002012185-A1 | PROCESS FOR PREPARING 2,3-DIAMINOPROPANOLS AND SYNTHESIS OF OTHER COMPOUNDS USING 2,3-DIAMINOPROPANOLS | CHEMBIONEX CO., LTD. (KR) | 2002-02-14 | — | — | WO | disclosed |