Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | PRCP | P42785 | 7/20 | 0.42 |
| ▸ | PPIB | P23284 | 3/20 | 0.41 |
| ▸ | PPID | Q08752 | 2/20 | 0.38 |
| ▸ | PPIG | Q13427 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18727523 | 0.86 | PRCP (0.46) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19339668 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20055244 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19339631 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19339447 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20055125 | 0.85 | CYP3A4 (0.66) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20763404 | 0.85 | CYP3A4 (0.66) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL14966582 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL17527176 | 0.83 | PRCP (0.61) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20055402 | 0.83 | CYP3A4 (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017112531-A1 | SILANE-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |
| WO-2012068234-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-05-24 | — | — | WO | disclosed |