Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL6511673 | 0.86 | HDAC1 (0.79) | HDAC1HDAC3HDAC4HDAC6CYP3A4 | |
| SCHEMBL8290112 | 0.85 | HDAC1 (0.74) | HDAC1HDAC3HDAC4HDAC6CYP3A4 | |
| SCHEMBL6509160 | 0.76 | KDM4E (0.58) | HDAC1HDAC3HDAC4HDAC6HDAC7 | |
| SCHEMBL6511676 | 0.73 | HDAC1 (0.64) | HDAC1HDAC3HDAC4HDAC6CYP3A4 | |
| SCHEMBL6509316 | 0.70 | HDAC1 (0.59) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6509983 | 0.69 | HDAC1 (0.76) | HDAC1HDAC3HDAC4HDAC6HDAC7 | |
| SCHEMBL6510513 | 0.68 | HDAC1 (0.74) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL14087167 | 0.65 | HDAC3 (0.53) | HDAC1HDAC3HDAC4HDAC6HDAC7 | |
| SCHEMBL10161950 | 0.65 | HDAC1 (0.49) | HDAC1HDAC3HDAC4HDAC6HDAC7 | |
| SCHEMBL6507970 | 0.64 | HDAC1 (0.52) | HDAC1CYP3A4ACKR3 |
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-2005075466-A1 | SUBSTITUTED THIENYL-MERCAPTOKETONES, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY | ARGENTA DISCOVERY LIMITED (GB) | 2005-08-18 | — | — | WO | disclosed |
| WO-2005075466-A1 | SUBSTITUTED THIENYL-MERCAPTOKETONES, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY | ARGENTA DISCOVERY LIMITED (GB) | 2005-08-18 | — | — | WO | disclosed |