Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.75 |
| ▸ | AR | P10275 | 1/20 | 0.75 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.75 |
| ▸ | PDE4A | P27815 | 1/20 | 0.75 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.75 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 4/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27987007 | 1.00 | CYP2D6 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL19059 | 0.86 | CYP2D6 (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL29379593 | 0.86 | CYP2D6 (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL10704011 | 0.84 | LMNA (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Hydrochloric Acid SCHEMBL28918877 | 0.84 | LMNA (0.59) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL99613 | 0.84 | LMNA (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11617745 | 0.84 | CYP2D6 (0.77) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL18548828 | 0.84 | CYP2D6 (0.97) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11623066 | 0.83 | CYP2D6 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL26048437 | 0.83 | CYP2D6 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 |
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-115518058-A | Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method | 河北医科大学 | 2022-12-27 | — | — | CN | disclosed |