Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.47 |
| ▸ | ITGAL | P20701 | 1/20 | 0.47 |
| ▸ | TRPM5 | Q9NZQ8 | 7/20 | 0.42 |
| ▸ | TRPM4 | Q8TD43 | 5/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5152873 | 0.79 | GAA (0.57) | ITGB3ITGA2BITGB2ITGB1ITGAV | |
| SCHEMBL4763545 | 0.78 | ITGB3 (0.40) | ITGB3ITGA2BITGB2ITGB1ITGAV | |
| Hydrochloric Acid SCHEMBL9544373 | 0.78 | GAA (0.56) | ITGB3ITGA2BITGB2ITGB1ITGAV | |
| SCHEMBL13634392 | 0.77 | ADRA2A (0.46) | TRPM5TRPM4CMA1AHR | |
| SCHEMBL7304045 | 0.77 | NR3C2 (0.44) | AKR1B1 | |
| SCHEMBL17396984 | 0.77 | AKR1B1 (0.44) | ITGB3ITGA2BITGB2ITGB1ITGAV | |
| SCHEMBL19066011 | 0.76 | GAA (0.62) | — | |
| SCHEMBL27930597 | 0.76 | GAA (0.62) | — | |
| SCHEMBL27450456 | 0.74 | ITGB3 (0.46) | ITGB3ITGA2BITGB2ITGB1ITGAV | |
| SCHEMBL17363948 | 0.74 | NR3C1 (0.42) | AKR1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100418968-C | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2008-09-17 | — | — | CN | disclosed |
| CN-1289499-C | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2006-12-13 | — | — | CN | disclosed |
| CN-1837207-A | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2006-09-27 | — | — | CN | disclosed |
| CN-1337963-A | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2002-02-27 | — | — | CN | disclosed |