Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.57 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 4/20 | 0.55 |
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.52 |
| ▸ | ITGAV | P06756 | 1/20 | 0.52 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11775172 | 0.91 | KLKB1 (0.61) | ITGB3ITGA2BCTSLCTSSCTSK | |
| SCHEMBL11778232 | 0.90 | ITGB3 (0.55) | ITGB3ITGA2BCTSLCTSSCTSK | |
| SCHEMBL27933195 | 0.85 | ITGB3 (0.52) | ITGB3ITGA2BCTSLCTSSCTSK | |
| SCHEMBL30074931 | 0.85 | ITGB3 (0.52) | ITGB3ITGA2BCTSLCTSSCTSK | |
| Hydrochloric Acid SCHEMBL4370941 | 0.84 | ITGB3 (0.51) | ITGB3ITGA2BCTSLCTSSCTSK | |
| Hydrochloric Acid SCHEMBL27679182 | 0.84 | ITGB3 (0.51) | ITGB3ITGA2BCTSLCTSSCTSK | |
| SCHEMBL4356072 | 0.82 | GAA (0.68) | ITGB3ITGA2BKLKB1GAARAB9A | |
| SCHEMBL7300651 | 0.82 | ITGB3 (0.66) | ITGB3ITGA2BGAARAB9AITGB1 | |
| SCHEMBL4363867 | 0.82 | GAA (0.53) | ITGB3ITGA2BCTSLCTSSCTSK | |
| SCHEMBL11772567 | 0.80 | CTSL (0.77) | CTSLCTSSCTSKL3MBTL1CTSB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | disclosed |