Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PRCP | P42785 | 11/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL754843 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL748770 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL752049 | 0.86 | PRCP (0.41) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL752515 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL750166 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL749500 | 0.86 | CYP3A4 (0.79) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL748240 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL756211 | 0.85 | CYP3A4 (0.70) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL752801 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL752058 | 0.84 | CYP3A4 (0.67) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2430014-A1 | ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | disclosed |