Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | PTPRA | P18433 | 1/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2680153 | 0.82 | ALDH1A1 (0.55) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL6569899 | 0.81 | ALDH1A1 (0.50) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL1127361 | 0.81 | CYP1A2 (0.53) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL2683154 | 0.81 | ALDH1A1 (0.46) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL4454414 | 0.80 | ALDH1A1 (0.49) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL4454418 | 0.80 | ALDH1A1 (0.49) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| Hydrochloric Acid SCHEMBL6569465 | 0.80 | ALDH1A1 (0.49) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL3935344 | 0.79 | ALDH1A1 (0.45) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL6664414 | 0.79 | CYP1A2 (0.53) | CYP1A2ALDH1A1NPSR1CYP2C19PTPRA | |
| SCHEMBL25152686 | 0.79 | CYP1A2 (0.51) | CYP1A2ALDH1A1NPSR1CYP2C19SLC6A2 |
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-8350077-B2 | Amides of creatine, method of their preparation, and remedy possessing a neuroprotective activity | VERTEX CLOSED JOINT STOCK COMPANY (RU) | 2013-01-08 | — | — | US | disclosed |
| US-20110269986-A1 | AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY | AMIDE BEVERAGE COMPANY, LLC | 2011-11-03 | — | — | US | disclosed |