Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7214896 | 0.90 | BCHE (0.57) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7209518 | 0.89 | HDAC6 (0.58) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7210529 | 0.89 | HDAC3 (0.51) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL10887208 | 0.88 | HDAC6 (0.64) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL10887379 | 0.85 | HDAC6 (0.70) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7215425 | 0.85 | HDAC3 (0.47) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7215477 | 0.82 | HDAC6 (0.53) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL10891080 | 0.80 | HDAC6 (0.63) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL10888065 | 0.80 | HDAC6 (0.63) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7213888 | 0.79 | TRPM8 (0.51) | — |
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-1335899-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | Actelion Pharmaceuticals Ltd. (CH) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002038534-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2002-05-16 | — | — | WO | disclosed |