Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 6/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514444 | 0.91 | HPGD (0.42) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL6507970 | 0.81 | HDAC1 (0.52) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL6509962 | 0.77 | HDAC1 (0.65) | — | |
| SCHEMBL6515011 | 0.77 | HDAC1 (0.52) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL11684273 | 0.69 | CYP1A2 (0.61) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL11683623 | 0.69 | MAOB (0.56) | MAOBCYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL6509511 | 0.68 | HDAC1 (0.47) | KDM4E | |
| SCHEMBL6513829 | 0.67 | HDAC1 (0.65) | — | |
| SCHEMBL1405290 | 0.66 | CYP2D6 (0.74) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12610941 | 0.66 | CYP2D6 (0.74) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 |
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 |