Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL749678 | 0.92 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL750865 | 0.91 | CYP3A4 (0.55) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL18462540 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL18463075 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL205951 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL205180 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2706085 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2706510 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2709547 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15368185 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 |
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 |