Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.79 |
| ▸ | AR | P10275 | 1/20 | 0.79 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.79 |
| ▸ | PDE4A | P27815 | 1/20 | 0.79 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.79 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.79 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 3/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | HTT | P42858 | 1/20 | 0.77 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromhexine SCHEMBL19059 | 0.88 | CYP2D6 (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL29379593 | 0.88 | CYP2D6 (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL10704011 | 0.87 | LMNA (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL99613 | 0.87 | LMNA (1.00) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11622934 | 0.87 | CYP2D6 (0.77) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Bromhexine SCHEMBL18548828 | 0.87 | CYP2D6 (0.97) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL28000432 | 0.86 | ABCB11 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11620394 | 0.86 | CYP2D6 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL30080254 | 0.86 | ABCB11 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11618532 | 0.85 | CYP2D6 (0.73) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |