Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM4 | O15151 | 1/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | YAP1 | P46937 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2585648 | 1.00 | MDM4 (0.55) | MDM4MDM2LNPEPNLRP3KLK5 | |
| SCHEMBL2583065 | 0.89 | CTSS (0.46) | MDM4MDM2LNPEPCTSSCTSK | |
| SCHEMBL2583067 | 0.89 | CTSS (0.46) | MDM4MDM2LNPEPCTSSCTSK | |
| SCHEMBL18569864 | 0.86 | KLK5 (0.46) | MDM4MDM2LNPEPKLK5KMT2A | |
| SCHEMBL18569863 | 0.84 | KLK5 (0.44) | MDM4MDM2KLK5KMT2AALDH1A1 | |
| SCHEMBL18569502 | 0.84 | NOS2 (0.44) | MDM4MDM2KLK5HDAC1HDAC6 | |
| SCHEMBL2583010 | 0.83 | TACR1 (0.51) | KLK5ALDH1A1YAP1 | |
| SCHEMBL2583014 | 0.83 | TACR1 (0.51) | KLK5ALDH1A1YAP1 | |
| SCHEMBL15604840 | 0.81 | TSHR (0.54) | MDM4MDM2LNPEPNLRP3KLK5 | |
| SCHEMBL16991034 | 0.81 | TSHR (0.54) | MDM4MDM2LNPEPNLRP3KLK5 |
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 |