Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 17/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8552753 | 0.90 | NR1I2 (0.66) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8555393 | 0.86 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6 | |
| SCHEMBL8553621 | 0.84 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6 | |
| SCHEMBL9091109 | 0.83 | NR1I2 (0.65) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8130108 | 0.82 | NR1I2 (0.79) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL9087004 | 0.80 | NR1I2 (0.66) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL9089458 | 0.78 | NR1I2 (0.67) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL4656259 | 0.78 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL49383 | 0.78 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8875401 | 0.78 | NR1I2 (0.84) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0499501-B1 | New macrocyclic nitrogen ligands, method for their preparation, metal complexes, diagnostic and therapeutic compositions | GUERBET SA (FR) | 1998-08-19 | — | — | EP | disclosed |
| US-5721261-A | TREATING PICORNAVIRUS INFECTIONS | SANOFI PHARMACEUTICALS, INC. (US) | 1998-02-24 | — | — | US | disclosed |
| US-5374416-A | Nitrogenous macrocyclic ligands, polymetallic complexes and diagnostic and therapeutic composition | GUERBET S.A. (FR) | 1994-12-20 | — | — | US | disclosed |
| WO-1992012978-A1 | NOVEL NITROGENOUS MACROCYCLIC LIGANDS, THEIR PREPARATION METHOD, POLYMETALLIC COMPLEXES, AND A DIAGNOSTIC AND THERAPEUTICAL COMPOSITION | GUERBET S.A. (FR) | 1992-08-06 | — | — | WO | disclosed |