Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9784951 | 0.80 | SLC6A2 (0.52) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6914644 | 0.79 | NPC1 (0.46) | TAAR1CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL6912519 | 0.79 | NPC1 (0.46) | TAAR1CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL6912872 | 0.79 | NPC1 (0.46) | TAAR1CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL180161 | 0.78 | SMN1; SMN2 (0.55) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1275761 | 0.78 | SMN1; SMN2 (0.55) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3361395 | 0.78 | SMN1; SMN2 (0.55) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4359977 | 0.78 | SMN1; SMN2 (0.50) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL28192979 | 0.78 | SLC6A2 (0.50) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11112039 | 0.77 | MMP8 (0.49) | SLC6A2TAAR1CYP2C9CYP2C19CYP1A2 |
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 6 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 |
| EP-0100172-B1 | AMIDE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-08-12 | — | — | EP | disclosed |
| US-4636505-A | ANTIANDROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-01-13 | — | — | US | disclosed |
| EP-0100172-A1 | Amide derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-02-08 | — | — | EP | disclosed |