Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.84 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 15/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8138112 | 0.91 | NR1I2 (0.80) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL4656259 | 0.91 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL49383 | 0.91 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8877950 | 0.90 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874452 | 0.90 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8135235 | 0.87 | NR1I2 (0.92) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874837 | 0.87 | NR1I2 (0.92) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874464 | 0.87 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8876306 | 0.85 | NR1I2 (0.88) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874925 | 0.84 | NR1I2 (0.72) | NR1I2CYP3A4CYP2D6HDAC6 |
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-5643929-A | TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES | SANOFI WINTHROP, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5464848-A | 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC. (US) | 1995-11-07 | — | — | US | disclosed |