Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20647810 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647809 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647789 | 0.87 | CYP2C9 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19841949 | 0.86 | MAPT (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647675 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647787 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647780 | 0.82 | MAPT (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19841965 | 0.81 | HSD11B1 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647693 | 0.79 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647803 | 0.79 | CYP3A4 (0.35) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 |
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-3848026-A1 | COMBINATIONS AND METHODS COMPRISING A CAPSID ASSEMBLY INHIBITOR | Novira Therapeutics Inc. (US) | 2021-07-14 | — | — | EP | disclosed |
| WO-2020255012-A1 | COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND CAPSID ASSEMBLY MODULATORS BEING SULFONAMIDE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-12-24 | — | — | WO | disclosed |