Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 10/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL4494236 | 0.93 | CHRM3 (0.43) | CHRM3ADRB2ALDH1A1KDM4EHTR1A | |
| SCHEMBL4478638 | 0.91 | EPHX2 (0.39) | CHRM3ADRB2ALDH1A1HTR1AHTR7 | |
| SCHEMBL4493377 | 0.88 | CHRM3 (0.43) | CHRM3ADRB2ALDH1A1HTR1AHTR7 | |
| SCHEMBL4475312 | 0.87 | CHRM3 (0.45) | CHRM3ADRB2HTR1AHTR7NPSR1 | |
| SCHEMBL4482049 | 0.87 | CHRM3 (0.45) | CHRM3ADRB2NPSR1 | |
| SCHEMBL265411 | 0.85 | CHRM3 (0.54) | CHRM3ADRB2 | |
| SCHEMBL4474750 | 0.85 | CHRM3 (0.41) | CHRM3ADRB2ALDH1A1HTR1AHTR7 | |
| SCHEMBL4478639 | 0.84 | CHRM3 (0.41) | CHRM3ADRB2ALDH1A1HTR1AHTR7 | |
| SCHEMBL4471889 | 0.83 | CHRM3 (0.49) | CHRM3ADRB2 | |
| SCHEMBL4493379 | 0.80 | CHRM3 (0.47) | CHRM3ADRB2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7632847-B2 | Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester | THERAVANCE, INC. (US) | 2009-12-15 | — | — | US | disclosed |