Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.62 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.62 |
| ▸ | ITGB7 | P26010 | 12/20 | 0.62 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.56 |
| ▸ | MME | P08473 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4362318 | 1.00 | ITGB1 (0.62) | ITGB1ITGA4ITGB7PSMB5MME | |
| SCHEMBL16993942 | 0.94 | ITGB1 (0.67) | ITGB1ITGA4ITGB7L3MBTL1 | |
| SCHEMBL16993943 | 0.94 | ITGB1 (0.67) | ITGB1ITGA4ITGB7L3MBTL1 | |
| SCHEMBL4369254 | 0.87 | ALDH1A1 (0.58) | ITGB1ITGA4ITGB7PSMB5 | |
| SCHEMBL4366748 | 0.86 | CYP3A4 (0.54) | ITGB1ITGA4ITGB7PSMB5 | |
| SCHEMBL4369419 | 0.82 | TSHR (0.61) | ITGB1ITGA4ITGB7PSMB5 | |
| SCHEMBL4363977 | 0.82 | TSHR (0.61) | ITGB1ITGA4ITGB7PSMB5 | |
| SCHEMBL4356229 | 0.81 | ACE (0.68) | PSMB5MMEL3MBTL1 | |
| SCHEMBL4357736 | 0.81 | ACE (0.68) | PSMB5MMEL3MBTL1 | |
| SCHEMBL11750694 | 0.81 | ITGB1 (0.72) | ITGB1ITGA4ITGB7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100480234-C | N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof | KEY LAB OF CHEMISTRY FOR NATUR (CN) | 2009-04-22 | — | — | CN | disclosed |
| CN-1935779-A | N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use | NATURAL PRODUCT CHEMISTRY KEY (CN) | 2007-03-28 | — | — | CN | disclosed |