Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13853839 | 0.85 | NAMPT (0.47) | ROCK2LIPGROCK1KMT2AMEN1 | |
| SCHEMBL19634729 | 0.84 | HDAC3 (0.47) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL17790190 | 0.84 | KMT2A (0.49) | ROCK2LIPGROCK1KMT2AMEN1 | |
| SCHEMBL21015876 | 0.84 | NR1H4 (0.48) | HDAC1HDAC6ROCK2LIPGROCK1 | |
| SCHEMBL8646446 | 0.83 | HDAC1 (0.57) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL3530258 | 0.82 | KMT2A (0.64) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL19634746 | 0.81 | MMP13 (0.49) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL24299182 | 0.81 | CA1 (0.56) | HDAC6HDAC2HDAC8ROCK2ROCK1 | |
| SCHEMBL1899410 | 0.81 | NPSR1 (0.57) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL2828029 | 0.81 | F10 (0.57) | HDAC1HDAC6HDAC3HDAC4HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |