Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CAD | P27708 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14812504 | 1.00 | CYP2D6 (0.36) | CYP2D6LMNABLMALOX15TSHR | |
| SCHEMBL15214522 | 0.67 | — | — | |
| Oxalic Acid SCHEMBL9668211 | 0.65 | — | — | |
| SCHEMBL285357 | 0.64 | — | — | |
| SCHEMBL230454 | 0.64 | — | — | |
| SCHEMBL28604529 | 0.64 | CYP2D6 (0.37) | CYP2D6LMNABLMALOX15TSHR | |
| SCHEMBL1300246 | 0.62 | — | — | |
| SCHEMBL690090 | 0.62 | — | — | |
| SCHEMBL690089 | 0.62 | — | — | |
| SCHEMBL18576616 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103732577-B | As effective hdac inhibitor carrying lactams thio derivative and they as medicine purposes | 希格马托制药工业公司 | 2017-04-05 | — | — | CN | disclosed |
| 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 |
| EP-2758371-A1 | NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013041480-A1 | NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2013-03-28 | — | — | WO | disclosed |