Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.75 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL23300539 | 1.00 | CYP2D6 (0.75) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| SCHEMBL28572943 | 1.00 | CYP2D6 (0.75) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| SCHEMBL23318472 | 1.00 | CYP2D6 (0.75) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| Hydrochloric Acid SCHEMBL28598338 | 0.99 | CYP3A4 (0.76) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| Hydrochloric Acid SCHEMBL28598337 | 0.99 | CYP3A4 (0.76) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| SCHEMBL11286788 | 0.86 | CYP2D6 (0.75) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| Bromhexine SCHEMBL29379593 | 0.86 | CYP2D6 (1.00) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| Bromhexine SCHEMBL19059 | 0.86 | CYP2D6 (1.00) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| SCHEMBL23300597 | 0.85 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 | |
| SCHEMBL23300596 | 0.85 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2ABCB11ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112745251-A | Compound for eliminating phlegm and preparation method and application thereof | 华创合成制药股份有限公司 | 2021-05-04 | — | — | CN | claimed |
| CN-112745251-A | Compound for eliminating phlegm and preparation method and application thereof | 华创合成制药股份有限公司 | 2021-05-04 | — | — | CN | disclosed |