Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.51 |
| ▸ | ATAD2 | Q6PL18 | 3/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14542587 | 0.84 | IKBKB (0.54) | BRD4ATAD2IRAK4HRH3CYP1A2 | |
| SCHEMBL14542568 | 0.81 | CYP1A2 (0.53) | BRD4ATAD2IRAK4CYP1A2CLK4 | |
| SCHEMBL2417594 | 0.80 | BRD4 (0.52) | BRD4ATAD2IRAK4HRH3CYP1A2 | |
| Hydrochloric Acid SCHEMBL2419851 | 0.79 | BRD4 (0.51) | BRD4ATAD2IRAK4HRH3CYP1A2 | |
| SCHEMBL14542518 | 0.72 | ACHE (0.43) | MEN1KMT2A | |
| SCHEMBL24151604 | 0.71 | PLAU (0.47) | CYP1A2CYP2D6ALDH1A1CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL28834168 | 0.69 | ITK (0.50) | BRD4ATAD2HRH3 | |
| SCHEMBL7127434 | 0.68 | UTS2R (0.55) | CYP1A2CLK4CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL30614565 | 0.68 | UTS2R (0.55) | CYP1A2CLK4CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL25251199 | 0.68 | BRD4 (0.49) | BRD4ATAD2IRAK4CYP1A2CLK4 |
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-2007042668-A1 | DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 | SANOFI-AVENTIS (FR) | 2007-04-19 | — | — | WO | disclosed |
| WO-2007042668-A1 | DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 | SANOFI-AVENTIS (FR) | 2007-04-19 | — | — | WO | disclosed |