Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cilengitide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 20/20 | 0.72 |
| ▸ | ITGAV known ✓ | P06756 | 18/20 | 0.72 |
| ▸ | ITGB5 known ✓ | P18084 | 12/20 | 0.72 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.72 |
| ▸ | ITGB6 | P18564 | 4/20 | 0.72 |
| ▸ | ITGA5 | P08648 | 5/20 | 0.72 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.72 |
| ▸ | ITGB8 | P26012 | 3/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Cilengitide SCHEMBL34082 | 0.96 | ITGB3 (0.78) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| Cilengitide SCHEMBL19534260 | 0.96 | ITGB3 (0.78) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| Cilengitide SCHEMBL26970603 | 0.96 | ITGB3 (0.78) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| Cilengitide SCHEMBL29403053 | 0.95 | ITGB3 (0.77) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| Trifluoroacetic Acid SCHEMBL29992576 | 0.85 | ITGB3 (0.75) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| Trifluoroacetic Acid SCHEMBL20917265 | 0.85 | ITGB3 (0.75) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| SCHEMBL22193974 | 0.85 | ITGB3 (0.62) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| SCHEMBL16883990 | 0.85 | ITGB3 (0.62) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| SCHEMBL16884024 | 0.85 | ITGB3 (0.62) | ITGB3ITGAVITGB5ITGA2BITGB6 | |
| SCHEMBL31294830 | 0.84 | ITGB3 (0.80) | ITGB3ITGAVITGB5ITGA2BITGA5 |
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-119700928-A | Application of cilengitide and its derivative in preparing medicine for preventing or treating cardiac calcification | 福建省肿瘤医院（福建省肿瘤研究所、福建省癌症防治中心） | 2025-03-28 | — | — | CN | disclosed |
| CN-118497109-A | Method for maintaining and improving stem cell multipotency based on integrin antagonists or inhibitors | 东北大学 | 2024-08-16 | — | — | CN | disclosed |