Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | IDUA | P35475 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16339206 | 1.00 | PKM (0.48) | PKMITGB1ITGA5ITGB3ITGB2 | |
| SCHEMBL16339203 | 1.00 | PKM (0.48) | PKMITGB1ITGA5ITGB3ITGB2 | |
| SCHEMBL6405736 | 0.72 | ITGB1 (0.43) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL6405731 | 0.72 | ITGB1 (0.43) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL13544621 | 0.72 | ITGB1 (0.43) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL7282443 | 0.71 | ITGB1 (0.42) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL4629491 | 0.71 | ITGB1 (0.42) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL19850672 | 0.71 | ITGB1 (0.42) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL4629492 | 0.71 | ITGB1 (0.42) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL7330767 | 0.71 | ITGB1 (0.42) | ITGB1ITGA5ITGB3ITGB2ITGAV |
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-2758371-B1 | NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS | SIGMA TAU IND FARMACEUTI (IT) | 2016-06-15 | — | — | EP | disclosed |
| US-8927533-B2 | Thio derivatives bearing lactams as potent HDAC inhibitors and their uses as medicaments | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-06 | — | — | US | disclosed |