Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 5/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL180161 | 0.83 | SMN1; SMN2 (0.55) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL1275761 | 0.83 | SMN1; SMN2 (0.55) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL3361395 | 0.83 | SMN1; SMN2 (0.55) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL4359977 | 0.83 | SMN1; SMN2 (0.50) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL2927672 | 0.82 | SMN1; SMN2 (0.48) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL9784950 | 0.82 | TRPA1 (0.48) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL6912517 | 0.81 | AR (0.47) | HIF1ASMN1; SMN2FDPSCYP2C19ALDH1A1 | |
| SCHEMBL6914641 | 0.81 | AR (0.47) | HIF1ASMN1; SMN2FDPSCYP2C19ALDH1A1 | |
| SCHEMBL23572607 | 0.80 | SMN1; SMN2 (0.47) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 | |
| SCHEMBL1059557 | 0.80 | SLC6A2 (0.52) | TRPA1HIF1ASMN1; SMN2SLC6A2TAAR1 |
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 5 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-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 |