Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.38 |
| ▸ | ITGAV | P06756 | 10/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 6/20 | 0.34 |
| ▸ | MMP9 | P14780 | 4/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7590553 | 0.85 | ITGB3 (0.52) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL7596092 | 0.83 | ITGB3 (0.54) | ITGB3ITGAVITGA2BMMP2MMP9 | |
| Trifluoroacetic Acid SCHEMBL6423286 | 0.75 | ITGAV (0.70) | ITGB3ITGAVITGA2BITGB1ITGA5 | |
| SCHEMBL7596227 | 0.68 | ITGAV (0.54) | ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL7594982 | 0.68 | ITGAV (0.53) | ITGB3ITGAV | |
| SCHEMBL7591941 | 0.68 | ITGB3 (0.55) | ITGB3ITGAVITGA2B | |
| SCHEMBL7596670 | 0.67 | ITGAV (0.55) | ITGB3ITGAVALDH1A1MAPT | |
| SCHEMBL7591676 | 0.67 | ITGAV (0.39) | ITGB3ITGAV | |
| Trifluoroacetic Acid SCHEMBL7563140 | 0.65 | ITGAV (0.37) | ITGB3ITGAV | |
| Trifluoroacetic Acid SCHEMBL17362145 | 0.60 | ALOX15 (0.47) | MMP2MMP9ADAMTS4ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |