Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 16/20 | 0.64 |
| ▸ | ICAM1 | P05362 | 16/20 | 0.64 |
| ▸ | ITGAL | P20701 | 16/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19157599 | 0.88 | ITGB2 (0.59) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL22296980 | 0.87 | ITGB2 (0.66) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL12169793 | 0.87 | ITGB2 (0.66) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL20833712 | 0.86 | ITGB2 (0.75) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL20833868 | 0.86 | ITGB2 (0.75) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL18867833 | 0.83 | ITGB2 (0.65) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL12054460 | 0.82 | ITGB2 (0.60) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL18868499 | 0.82 | ITGB2 (0.60) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL22693777 | 0.81 | ITGB2 (0.79) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL22476509 | 0.81 | ITGB2 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114689733-A | Method for detecting related substances of sitagliptin or preparation thereof | 扬子江药业集团南京海陵药业有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-114689733-A | Method for detecting related substances of sitagliptin or preparation thereof | 扬子江药业集团南京海陵药业有限公司 | 2022-07-01 | — | — | CN | disclosed |