Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PARG | Q86W56 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075666 | 0.96 | CYP2C9 (0.37) | CYP2C9NR1I2BRD4KITHDAC1 | |
| SCHEMBL4068112 | 0.93 | CYP2C9 (0.39) | CYP2C9NR1I2BRD4HDAC1HDAC6 | |
| SCHEMBL3929676 | 0.90 | CYP2C9 (0.39) | CYP2C9NR1I2BRD4HDAC1HDAC6 | |
| SCHEMBL3920862 | 0.88 | CYP2C9 (0.39) | CYP2C9NR1I2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL3922950 | 0.88 | CYP2C9 (0.40) | CYP2C9NR1I2BRD4HDAC1HDAC6 | |
| SCHEMBL4069350 | 0.87 | CYP2C9 (0.38) | CYP2C9NR1I2HDAC1HDAC6PARG | |
| SCHEMBL4073002 | 0.85 | CYP2C9 (0.42) | CYP2C9NR1I2BRD4KITHDAC1 | |
| SCHEMBL4066606 | 0.85 | CYP2C9 (0.39) | CYP2C9NR1I2KITHDAC1HDAC6 | |
| SCHEMBL3922961 | 0.84 | ERCC5 (0.36) | CYP2C9NR1I2KDM4EPARGPTGDR2 | |
| SCHEMBL3930411 | 0.84 | PTGDR2 (0.36) | CYP2C9NR1I2ALDH1A1KDM4EHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786807-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2009-07-29 | — | — | EP | claimed |