Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7060349 | 0.89 | ITGB3 (0.49) | ITGB3ITGA2BITGAVGLATSHR | |
| Tert-Butyl Formate SCHEMBL27758752 | 0.83 | ITGB3 (0.46) | ITGB3ITGA2BITGAVGLA | |
| Tert-Butyl Formate SCHEMBL27635034 | 0.82 | ITGB3 (0.44) | ITGB3ITGA2BITGAVTSHRGBA1 | |
| Tert-Butyl Formate SCHEMBL27876082 | 0.82 | ITGB3 (0.51) | ITGB3ITGA2BITGAVTSHRALDH1A1 | |
| SCHEMBL8557142 | 0.82 | ITGB3 (0.53) | ITGB3ITGA2BITGAVGLAALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27758724 | 0.81 | ITGB3 (0.43) | ITGB3ITGA2BITGAVGLATSHR | |
| SCHEMBL2232191 | 0.80 | ALDH1A1 (0.56) | GLAKLK7ALDH1A1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7419840 | 0.80 | ITGB3 (0.51) | ITGB3ITGA2BITGAVGLATSHR | |
| Tert-Butyl Formate SCHEMBL27955423 | 0.80 | ALDH1A1 (0.56) | ITGB3ITGA2BITGAVTSHRALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27758751 | 0.79 | TPSAB1 (0.51) | ITGB3ITGA2BITGAVALDH1A1 |
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-1802187-B | Benzoxazinyl-amido cyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO INC | 2011-09-14 | — | — | CN | disclosed |
| CN-1802187-A | Benzoxazinyl-amido cyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO INC (US) | 2006-07-12 | — | — | CN | disclosed |