Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.33 |
| ▸ | ITGAV | P06756 | 3/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | KLK8 | O60259 | 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 | |
|---|---|---|---|---|
| SCHEMBL8177321 | 0.84 | ITGB3 (0.42) | GLSITGB3ITGAVITGA2B | |
| SCHEMBL8177160 | 0.79 | MAPT (0.38) | GLSITGB3ITGAVITGA2B | |
| SCHEMBL7368311 | 0.79 | ANPEP (0.45) | GLSSMN1; SMN2ITGB3ITGAVITGA2B | |
| SCHEMBL7367243 | 0.78 | SLC1A3 (0.47) | ITGB3ITGAVITGA2BF2 | |
| SCHEMBL7366853 | 0.75 | SLC1A3 (0.34) | ITGB3ITGAVITGA2B | |
| SCHEMBL8548718 | 0.72 | ITGB3 (0.41) | ITGB3ITGAVITGA2B | |
| SCHEMBL7366550 | 0.70 | SLC1A2 (0.41) | GLS | |
| SCHEMBL7402861 | 0.69 | ITGB3 (0.67) | ITGB3ITGAVITGA2B | |
| SCHEMBL8551009 | 0.67 | ITGB3 (0.45) | ITGB3ITGAVITGA2B | |
| SCHEMBL8168330 | 0.66 | ITGAV (0.44) | ITGB3ITGAVITGA2B |
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-1049693-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999026945-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-06-03 | — | — | WO | disclosed |