Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 20/20 | 0.79 |
| ▸ | ICAM1 | P05362 | 20/20 | 0.79 |
| ▸ | ITGAL | P20701 | 20/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL4756016 | 0.90 | ITGB2 (0.84) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL17991423 | 0.90 | ITGB2 (0.84) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL16846644 | 0.89 | ITGB2 (0.85) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL12704679 | 0.89 | ITGB2 (0.85) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL17991463 | 0.88 | ITGB2 (1.00) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL20561608 | 0.88 | ITGB2 (0.81) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL16985074 | 0.87 | ITGB2 (1.00) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL20618491 | 0.87 | ITGB2 (0.82) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL4755964 | 0.87 | ITGB2 (1.00) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL12054499 | 0.87 | ITGB2 (1.00) | ITGB2ICAM1ITGALCYP2C9 |
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-111205275-A | Crystal form of sitagliptin and preparation method thereof | 南京佰麦生物技术有限公司 | 2020-05-29 | — | — | CN | disclosed |