Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.34 |
| ▸ | GYS1 | P13807 | 1/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL1748858 | 0.91 | CYP2B6 (0.42) | CYP2B6ALDH1A1TDP1CYP1A2CYP1A1 | |
| SCHEMBL30629173 | 0.91 | CYP2B6 (0.42) | CYP2B6ALDH1A1TDP1CYP1A2CYP1A1 | |
| Hydrochloric Acid SCHEMBL6245847 | 0.90 | CYP2B6 (0.41) | CYP2B6ALDH1A1TDP1CYP1A2CYP1A1 | |
| SCHEMBL7531329 | 0.81 | ALDH1A1 (0.35) | CYP2B6ALDH1A1CYP1A2CYP1A1KDM4E | |
| Succinic Acid SCHEMBL5320883 | 0.79 | PARP1 (0.43) | CYP2B6ALDH1A1CYP1A2CYP1A1GYS1 | |
| SCHEMBL25417649 | 0.77 | MAPT (0.42) | CYP2B6ALDH1A1TDP1CYP1A2CYP1A1 | |
| SCHEMBL5322267 | 0.77 | PARP1 (0.50) | CYP2B6ALDH1A1CYP1A2CYP1A1KDM4E | |
| SCHEMBL30066970 | 0.77 | PARP1 (0.50) | CYP2B6ALDH1A1CYP1A2CYP1A1KDM4E | |
| SCHEMBL31058480 | 0.77 | CYP2B6 (0.39) | CYP2B6ALDH1A1TDP1CYP1A2CYP1A1 | |
| SCHEMBL27383030 | 0.77 | TRPA1 (0.46) | CYP2B6ALDH1A1TDP1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-109020961-A | Antiviral compound | 吉利德制药有限责任公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-104230900-B | Antiviral compound | 吉利德制药有限责任公司 | 2018-10-19 | — | — | CN | disclosed |