Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28837745 | 0.83 | ITGA4 (0.46) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL9160311 | 0.83 | ITGA4 (0.52) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL1595565 | 0.81 | ITGA4 (0.51) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL4909735 | 0.81 | ITGA4 (0.51) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL1595571 | 0.81 | ITGA4 (0.51) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL8071397 | 0.80 | ITGA4 (0.48) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL5711183 | 0.80 | ITGA4 (0.48) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL6464419 | 0.79 | ITGA4 (0.47) | ITGA4ITGB7ACECTSSCTSK | |
| SCHEMBL27278080 | 0.79 | SLC7A5 (0.50) | ITGA4ITGB7ACEATMSLC7A5 | |
| SCHEMBL27280085 | 0.78 | ACE (0.45) | ITGA4ITGB7ACECTSSCTSK |
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 |