Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455294 | 0.80 | HDAC1 (0.49) | HDAC1MAPTFAAHHDAC3HDAC2 | |
| SCHEMBL5134770 | 0.75 | LMNA (0.42) | HDAC1LMNAFLT1KDRFLT3 | |
| SCHEMBL14470496 | 0.70 | NPC1 (0.59) | MAPTALDH1A1FAAHNPC1KDM4E | |
| SCHEMBL31323132 | 0.70 | NPC1 (0.59) | MAPTALDH1A1FAAHNPC1KDM4E | |
| SCHEMBL12291257 | 0.69 | HDAC1 (0.56) | HDAC1FLT1KDRFLT3HDAC3 | |
| SCHEMBL14312860 | 0.69 | HDAC1 (0.54) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL11673207 | 0.67 | NPC1 (0.61) | HDAC1ALDH1A1FAAHNPC1HPGD | |
| SCHEMBL4463643 | 0.66 | HDAC2 (0.44) | HDAC1MAPTALDH1A1HDAC3HDAC2 | |
| SCHEMBL5216430 | 0.65 | FAAH (0.71) | LMNAFAAHNPC1 | |
| SCHEMBL22828578 | 0.65 | LMNA (0.66) | LMNAMAPTALDH1A1SMN1; SMN2NPC1 |
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 | disclosed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | disclosed |