Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | PRCP | P42785 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6126701 | 0.89 | CYP3A4 (0.60) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15393063 | 0.89 | CYP3A4 (0.60) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL17011892 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12098532 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL8520521 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1914011 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL18727357 | 0.87 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL18051166 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL19528441 | 0.84 | CYP3A4 (0.70) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12175111 | 0.84 | CYP3A4 (0.79) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 |
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-2640719-B1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2017-05-10 | — | — | EP | disclosed |