Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7917195 | 0.94 | TP53 (0.57) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3467448 | 0.88 | GAA (0.54) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3467483 | 0.87 | GAA (0.60) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3467066 | 0.86 | HDAC6 (0.47) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3466724 | 0.84 | HDAC6 (0.54) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL7912521 | 0.83 | HDAC3 (0.59) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL7921598 | 0.83 | HDAC6 (0.55) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3467960 | 0.82 | HDAC1 (0.51) | HDAC6HDAC3HDAC1GAACNR2 | |
| SCHEMBL3467874 | 0.81 | HDAC6 (0.57) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 | |
| SCHEMBL3466885 | 0.81 | HDAC6 (0.59) | TP53SMN1; SMN2HDAC6HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | claimed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |