Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL696396 | 0.87 | CYP2C9 (0.43) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL697737 | 0.83 | ALDH1A1 (0.51) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL20548928 | 0.79 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL14889180 | 0.76 | ALDH1A1 (0.54) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL9007854 | 0.75 | GAA (0.51) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL28794540 | 0.75 | ALOX15 (0.45) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL29700441 | 0.75 | ALOX15 (0.45) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL247590 | 0.74 | CES2 (0.59) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL28775846 | 0.74 | CES2 (0.59) | ALDH1A1GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL9464075 | 0.74 | CYP1A2 (0.54) | ALDH1A1GAAKMT2AMEN1CYP1A2 |
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-2423211-B1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | KANEKA CORP (JP) | 2014-04-16 | — | — | EP | disclosed |
| EP-2423211-A1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | Kaneka Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |