Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 3/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28405014 | 0.94 | ACACA (0.46) | GABRA5ACACAPTGESMRGPRX4VDR | |
| SCHEMBL20772827 | 0.93 | FFAR4 (0.43) | GABRA5ACACAPTGESMRGPRX4VDR | |
| SCHEMBL20772768 | 0.91 | PIM1 (0.43) | PIM1GABRA5CYP2D6MRGPRX4 | |
| SCHEMBL20772999 | 0.88 | SCN9A (0.44) | PIM1GABRA5CYP2D6ACACAPTGES | |
| SCHEMBL20772618 | 0.88 | NR1H2 (0.46) | PIM1GABRA5CYP2D6ACACAPTGES | |
| SCHEMBL20772316 | 0.85 | NR1H4 (0.48) | ACACAPTGESMRGPRX4 | |
| SCHEMBL28410891 | 0.84 | PTGES (0.45) | GABRA5ACACAPTGESMRGPRX4 | |
| SCHEMBL20772628 | 0.84 | PTGES (0.42) | GABRA5ACACAPTGESMRGPRX4VDR | |
| SCHEMBL20772603 | 0.84 | ACACA (0.43) | GABRA5ACACAPTGES | |
| SCHEMBL28410957 | 0.84 | VDR (0.42) | GABRA5ACACAMRGPRX4VDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111132961-A | Bisaryloxy derivatives as TTX-S blockers | 拉夸里亚创药株式会社 | 2020-05-08 | — | — | CN | disclosed |