Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | PPARG | P37231 | 5/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16339562 | 1.00 | CTSK (0.49) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL27604122 | 0.98 | CTSK (0.50) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL1162230 | 0.98 | CTSK (0.50) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL3378213 | 0.94 | CTSK (0.51) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL3570961 | 0.94 | CTSK (0.51) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL3585273 | 0.94 | CTSK (0.51) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL6745774 | 0.91 | CTSK (0.56) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL14150791 | 0.91 | CTSK (0.56) | CTSKCTSSALDH1A1TSHRHDAC4 | |
| SCHEMBL2062991 | 0.87 | CTSK (0.49) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL2062994 | 0.87 | CTSK (0.49) | CTSKCTSSMEN1GAAKMT2A |
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 |