Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPR3 | P17342 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28301560 | 0.82 | ITGA4 (0.45) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL8019635 | 0.80 | ITGA4 (0.48) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL5016667 | 0.79 | SLC1A3 (0.49) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL6703242 | 0.79 | SLC1A3 (0.49) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7280316 | 0.79 | SLC1A3 (0.51) | ITGA4ITGB7CTSSCTSKCTSL | |
| SCHEMBL20805059 | 0.79 | ITGA4 (0.49) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL15015724 | 0.79 | SLC1A3 (0.51) | ITGA4ITGB7CTSSCTSKCTSL | |
| SCHEMBL7322080 | 0.76 | KLK5 (0.53) | KLK5LTA4HRENACE | |
| SCHEMBL7322069 | 0.76 | KLK5 (0.53) | KLK5LTA4HRENACE | |
| SCHEMBL487423 | 0.75 | ITGA4 (0.51) | ITGA4ITGB7KLK5CTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1039596-A | Preparation method in conjunction with the peptide of retroviral Protease | SMITHKLINE BECKMAN CORP (US) | 1990-02-14 | — | — | CN | disclosed |