Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1930794 | 0.79 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28667334 | 0.77 | CYP3A4 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14668806 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11552319 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6912718 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL953807 | 0.76 | CYP1A2 (0.65) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29033930 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL953806 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6912287 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6915322 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-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 |
| EP-1310477-A2 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-05-14 | — | — | EP | disclosed |