Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6876907 | 0.85 | MEN1 (0.40) | NPC1SMN1; SMN2MEN1KMT2AHDAC8 | |
| SCHEMBL1758651 | 0.85 | LMNA (0.53) | NPC1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL1759219 | 0.82 | HDAC3 (0.55) | NPC1SMN1; SMN2HDAC8HDAC6EPHX2 | |
| SCHEMBL1758644 | 0.82 | EPHX2 (0.56) | NPC1MEN1KMT2ARAB9AEPHX2 | |
| SCHEMBL4658066 | 0.74 | CNR2 (0.58) | SMN1; SMN2EPHX2ALDH1A1 | |
| SCHEMBL1758656 | 0.73 | HDAC8 (0.49) | NPC1MEN1KMT2ARAB9AHDAC8 | |
| SCHEMBL1758576 | 0.72 | HDAC1 (0.51) | NPC1MEN1KMT2ARAB9AHDAC8 | |
| SCHEMBL1758692 | 0.71 | PDE5A (0.56) | LMNA | |
| SCHEMBL22815523 | 0.71 | ALDH1A1 (0.57) | NPC1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL8664637 | 0.71 | KMT2A (0.77) | MEN1KMT2AHDAC8HDAC6ALDH1A1 |
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-2011058582-A1 | HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2011-05-19 | — | — | WO | claimed |
| WO-2011058582-A1 | HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2011-05-19 | — | — | WO | disclosed |