Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | PTPRA | P18433 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NPY4R | P50391 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | FCER2 | P06734 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2589810 | 0.84 | PTPN1 (0.52) | PTPN1PTPN2PTPRAPTPN6PTPN11 | |
| Trifluoroacetic Acid SCHEMBL2587894 | 0.82 | PTPN1 (0.52) | PTPN1PTPN2PTPRAPTPN6PTPN11 | |
| SCHEMBL16602248 | 0.77 | HDAC3 (0.55) | PTPN1MMP1FCER2HDAC3HDAC4 | |
| SCHEMBL5331368 | 0.75 | FPR2 (0.46) | PTPN1PTPN2TMPRSS15 | |
| SCHEMBL5302819 | 0.74 | PTPN1 (0.50) | PTPN1ELANE | |
| SCHEMBL5335982 | 0.73 | CHRM2 (0.52) | — | |
| SCHEMBL16656665 | 0.72 | OPRD1 (0.48) | ACEHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10046589 | 0.71 | PTPN1 (0.43) | PTPN1PTPN2PTPRAPTPN6PTPN11 | |
| SCHEMBL23968035 | 0.71 | FCER2 (0.52) | ACEFCER2 | |
| SCHEMBL7443503 | 0.70 | ACE (0.45) | PTPN1PTPN2PTPRAPTPN6PTPN11 |
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 |