Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.44 |
| ▸ | CHRNG | P07510 | 2/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.44 |
| ▸ | CHRND | Q07001 | 2/20 | 0.44 |
| ▸ | QRFPR | Q96P65 | 4/20 | 0.44 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.43 |
| ▸ | GNPAT | O15228 | 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 | |
|---|---|---|---|---|
| SCHEMBL2586350 | 1.00 | CHRNB2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| Trifluoroacetic Acid SCHEMBL2586354 | 0.96 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| Trifluoroacetic Acid SCHEMBL2590144 | 0.96 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| Trifluoroacetic Acid SCHEMBL2590147 | 0.96 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| SCHEMBL18429328 | 0.82 | OPRD1 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| SCHEMBL18515814 | 0.82 | OPRD1 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4NOD2 | |
| SCHEMBL3860587 | 0.80 | REN (0.52) | OPRK1KLKB1 | |
| SCHEMBL3860594 | 0.80 | REN (0.52) | OPRK1KLKB1 | |
| SCHEMBL18515815 | 0.78 | OPRM1 (0.52) | NOD2OPRK1 | |
| SCHEMBL9517284 | 0.77 | SIRT2 (0.62) | — |
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 |