Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 20/20 | 0.71 |
| ▸ | ICAM1 | P05362 | 20/20 | 0.71 |
| ▸ | ITGAL | P20701 | 20/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL22041630 | 1.00 | ITGB2 (0.71) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28561639 | 0.94 | ITGB2 (0.74) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978432 | 0.89 | ITGB2 (0.56) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978433 | 0.88 | ITGB2 (0.60) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978399 | 0.88 | ITGB2 (0.54) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28400705 | 0.88 | ITGB2 (0.57) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978426 | 0.87 | ITGB2 (0.54) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978427 | 0.85 | ITGB2 (0.53) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28391635 | 0.85 | ITGB2 (0.58) | ITGB2ICAM1ITGALCYP2C9 | |
| SCHEMBL28978403 | 0.84 | ITGB2 (0.52) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114025759-A | Compounds and methods for treating ocular diseases | 阿祖拉眼科有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-112300139-A | Crystalline form of sitagliptin hydrate and preparation method thereof | 南京佰麦生物技术有限公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-111285855-A | Method for preparing compound Lifitegrast | 苏州旺山旺水生物医药有限公司 | 2020-06-16 | — | — | CN | disclosed |
| 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 |
| CN-111171007-A | Synthetic method of sitagliptin intermediate | 广州大光制药有限公司 | 2020-05-19 | — | — | CN | disclosed |