Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 4/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.33 |
| ▸ | KDR | P35968 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | VHL | P40337 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8874123 | 0.94 | NR1I2 (0.47) | NR1I2CYP3A4CYP2D6HDAC6HDAC4 | |
| SCHEMBL8138666 | 0.88 | NR1I2 (0.54) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL8875413 | 0.86 | NR1I2 (0.47) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL8130660 | 0.85 | CYP3A4 (0.43) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL9176420 | 0.83 | NR1I2 (0.49) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL10413141 | 0.82 | PLAU (0.51) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL8876078 | 0.81 | NR1I2 (0.43) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL8876220 | 0.81 | HDAC6 (0.46) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL10413619 | 0.79 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6HDAC6MEN1 | |
| SCHEMBL8875264 | 0.79 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6HDAC6MEN1 |
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-5349068-A | 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC. (US) | 1994-09-20 | — | — | US | disclosed |