Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26559272 | 0.86 | MCL1 (0.43) | MCL1FAAHCA1CA2GAA | |
| SCHEMBL13660541 | 0.86 | MCL1 (0.43) | MCL1FAAHCA1CA2GAA | |
| SCHEMBL2791750 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL28340710 | 0.81 | MCL1 (0.41) | MCL1FAAHHDAC4HDAC1HDAC6 | |
| Bromide SCHEMBL11516207 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL3684067 | 0.76 | MMP1 (0.38) | HDAC4HDAC1HDAC6CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL13519111 | 0.75 | MCL1 (0.38) | MCL1FAAHHDAC4HDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL6273587 | 0.73 | HDAC4 (0.39) | MCL1FAAHHDAC4HDAC1HDAC6 | |
| SCHEMBL20470009 | 0.73 | EGLN1 (0.43) | FAAHCA1CA2 | |
| SCHEMBL1330494 | 0.73 | EGLN1 (0.43) | FAAHCA1CA2 |
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 |