Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.70 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.65 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.63 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.63 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.63 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.63 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.63 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.63 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL24522646 | 0.88 | HDAC6 (0.74) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL18668729 | 0.87 | HDAC6 (0.62) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL18668668 | 0.85 | HDAC6 (0.73) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL16456367 | 0.84 | POLB (0.73) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL18688205 | 0.83 | NAMPT (0.61) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL6260903 | 0.83 | KDR (1.00) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL29434873 | 0.83 | KDR (1.00) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL15441206 | 0.82 | KDR (0.77) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL15093487 | 0.82 | HDAC6 (0.77) | KDRHDAC6L3MBTL1TDP1GAA | |
| SCHEMBL16456332 | 0.82 | HDAC6 (0.77) | KDRHDAC6L3MBTL1TDP1GAA |
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-2017053360-A1 | BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-03-30 | — | — | WO | disclosed |