Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6906482 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPK1FDPSMAOAMAOB | |
| SCHEMBL9125570 | 0.80 | CA2 (0.57) | ALDH1A1MAPK1FDPSMAOAMAOB | |
| SCHEMBL769845 | 0.75 | ALDH1A1 (0.61) | ALDH1A1MAPK1FDPSMAOAMAOB | |
| SCHEMBL6912524 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPK1FDPSMTNR1AMTNR1B | |
| SCHEMBL6912874 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPK1FDPSMTNR1AMTNR1B | |
| SCHEMBL6914649 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPK1FDPSMTNR1AMTNR1B | |
| SCHEMBL16079189 | 0.73 | DRD2 (0.42) | ALDH1A1FDPSDRD2DRD4OPRM1 | |
| SCHEMBL9465205 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPK1FDPSMTNR1AMTNR1B | |
| SCHEMBL21398351 | 0.71 | ALDH1A1 (0.54) | ALDH1A1MAPK1FDPSMAOAMAOB | |
| SCHEMBL19673893 | 0.70 | POLB (0.42) | MAPK1FDPSDRD2DRD4OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6818423-B2 | LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) | 2004-11-16 | — | — | US | disclosed |
| US-20030092142-A1 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-05-15 | — | — | US | disclosed |