Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6515011 | 0.93 | HDAC1 (0.52) | HDAC1MAOBCYP1A2LTA4HCYP2D6 | |
| SCHEMBL6509962 | 0.91 | HDAC1 (0.65) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6509511 | 0.86 | HDAC1 (0.47) | HDAC1CYP3A4KDM4ENR4A2ALDH1A1 | |
| SCHEMBL6513829 | 0.81 | HDAC1 (0.65) | HDAC1CYP3A4 | |
| SCHEMBL6531317 | 0.81 | MAOB (0.43) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL6509983 | 0.79 | HDAC1 (0.76) | HDAC1CYP3A4 | |
| SCHEMBL6514444 | 0.79 | HPGD (0.42) | HDAC1MAOBCYP1A2LTA4HCYP2D6 | |
| SCHEMBL6509316 | 0.78 | HDAC1 (0.59) | HDAC1HTTCYP3A4KDM4EACKR3 | |
| SCHEMBL8294397 | 0.78 | HDAC1 (0.54) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6512133 | 0.78 | HDAC1 (0.61) | HDAC1CYP3A4 |
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-2005014588-A1 | SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY | ARGENTA DISCOVERY LIMITED (GB) | 2005-02-17 | — | — | WO | disclosed |