Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | FCER2 | P06734 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 2/20 | 0.48 |
| ▸ | REN | P00797 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 3/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPRA | P18433 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16602248 | 0.93 | HDAC3 (0.55) | PTPN1HDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL2589810 | 0.90 | PTPN1 (0.52) | PTPN1ACEHPGDSPTPN2PTPRA | |
| Trifluoroacetic Acid SCHEMBL2588848 | 0.84 | TACR1 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL2588851 | 0.84 | TACR1 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL7268669 | 0.83 | PTPN1 (0.46) | PTPN1FCER2MMP1ACEREN | |
| SCHEMBL16656671 | 0.83 | ALDH1A1 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL21065923 | 0.83 | PTPN1 (0.46) | PTPN1FCER2MMP1ACEREN | |
| SCHEMBL2589812 | 0.82 | PTPN1 (0.44) | PTPN1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14456823 | 0.82 | L3MBTL1 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19974071 | 0.82 | L3MBTL1 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |