Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 18/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 16/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8553191 | 0.90 | NR1I2 (0.64) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8552613 | 0.86 | NR1I2 (0.47) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8552166 | 0.83 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL9089458 | 0.82 | NR1I2 (0.67) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL9087004 | 0.81 | NR1I2 (0.66) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8875401 | 0.80 | NR1I2 (0.84) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL4656259 | 0.80 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL49383 | 0.80 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8824452 | 0.80 | NR1I2 (0.64) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8130108 | 0.79 | NR1I2 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5846986-A | Therapeutic phenoxyalkylazoles and phenoxyalkylazines | SANOFI (FR) | 1998-12-08 | — | — | US | disclosed |
| US-5721261-A | TREATING PICORNAVIRUS INFECTIONS | SANOFI PHARMACEUTICALS, INC. (US) | 1998-02-24 | — | — | US | disclosed |