Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.50 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3265918 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL20707007 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL5993163 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1746726 | 0.85 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1746728 | 0.85 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12175155 | 0.85 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16131208 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL19183641 | 0.85 | CYP3A4 (0.75) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16130725 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16130724 | 0.84 | CYP3A4 (0.50) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8871759-B2 | Inhibitors of hepatitis C virus replication | MERCK SHARP & DOHME CORP. (US) | 2014-10-28 | — | — | US | disclosed |