Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4477850 | 0.94 | ALDH1A1 (0.48) | NPSR1ALDH1A1POLBTP53EPHX2 | |
| SCHEMBL4470548 | 0.93 | ATR (0.44) | ALDH1A1POLBEPHX2SMN1; SMN2LMNA | |
| SCHEMBL4480181 | 0.89 | CARM1 (0.47) | EPHX2CHRM3 | |
| SCHEMBL4472540 | 0.89 | EPHX2 (0.43) | EPHX2ATRCHRM3ADRB2 | |
| SCHEMBL4490817 | 0.88 | CHRM3 (0.41) | NPSR1EPHX2CHRM3ADRB2 | |
| SCHEMBL4470442 | 0.88 | CARM1 (0.46) | EPHX2CHRM3 | |
| SCHEMBL4482354 | 0.88 | EPHX2 (0.41) | ALDH1A1EPHX2CHRM2KDM4EATR | |
| SCHEMBL4480375 | 0.87 | EPHX2 (0.44) | EPHX2ATRCHRM3 | |
| SCHEMBL4486948 | 0.87 | EPHX2 (0.44) | ALDH1A1POLBEPHX2SMN1; SMN2LMNA | |
| SCHEMBL4494143 | 0.87 | EPHX2 (0.44) | EPHX2ATRCHRM3ADRB2 |
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 |