Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL205394 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2706659 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL749088 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL28059689 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL28059761 | 0.74 | CYP2C9 (0.44) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL9980269 | 0.70 | CYP3A4 (0.80) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL28059651 | 0.69 | NR1I2 (0.52) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL27978539 | 0.67 | PRCP (0.51) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL16737245 | 0.66 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL16737244 | 0.66 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102596936-A | Antiviral compounds | GILEAD SCIENCES INC | 2012-07-18 | — | — | CN | disclosed |