Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 2/20 | 0.50 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.49 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2583010 | 1.00 | TACR1 (0.51) | TACR1ACEKLK5MBTPS1POLB | |
| SCHEMBL7272393 | 0.86 | TACR1 (0.47) | TACR1ACEKLK5POLBMAPT | |
| SCHEMBL27305186 | 0.86 | TACR1 (0.47) | TACR1ACEKLK5POLBMAPT | |
| SCHEMBL2585648 | 0.83 | MDM4 (0.55) | KLK5ALDH1A1YAP1 | |
| SCHEMBL2585645 | 0.83 | MDM4 (0.55) | KLK5ALDH1A1YAP1 | |
| SCHEMBL3355326 | 0.81 | CTSS (0.64) | TACR1ACEKLK5POLBMAPT | |
| SCHEMBL22404737 | 0.81 | CTSS (0.64) | TACR1ACEKLK5POLBMAPT | |
| SCHEMBL85543 | 0.81 | CTSS (0.64) | TACR1ACEKLK5POLBMAPT | |
| SCHEMBL29269333 | 0.81 | ACE (0.61) | TACR1ACEKLK5MBTPS1POLB | |
| SCHEMBL29269334 | 0.81 | ACE (0.61) | TACR1ACEKLK5MBTPS1POLB |
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 |