Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.40 |
| ▸ | FLT1 | P17948 | 4/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | FLT3 | P36888 | 4/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4456921 | 0.82 | HDAC1 (0.46) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL5134738 | 0.75 | HDAC1 (0.46) | LMNAHDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL4456923 | 0.75 | HDAC1 (0.46) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL12291260 | 0.65 | HDAC1 (0.63) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2440724 | 0.64 | HDAC1 (0.38) | LMNAHDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL12634205 | 0.62 | HDAC1 (0.68) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL29228947 | 0.62 | CYP1A2 (0.36) | LMNASMN1; SMN2KDM4ENPSR1 | |
| SCHEMBL3183198 | 0.62 | PLAU (0.68) | LMNAHDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL29176117 | 0.62 | PLAU (0.68) | LMNAHDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL1435653 | 0.62 | HDAC1 (0.73) | HDAC1HDAC2HDAC3HDAC4HDAC7 |
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-1945617-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | claimed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | claimed |