Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.41 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4486948 | 0.94 | EPHX2 (0.44) | ATREPHX2KMT2AALDH1A1POLB | |
| SCHEMBL4487942 | 0.93 | NPSR1 (0.49) | ATREPHX2KMT2AALDH1A1POLB | |
| SCHEMBL4480181 | 0.92 | CARM1 (0.47) | EPHX2CHRM3HTR7HTR1A | |
| SCHEMBL4472540 | 0.92 | EPHX2 (0.43) | ATREPHX2ADRB2CHRM3HTR7 | |
| SCHEMBL4490817 | 0.91 | CHRM3 (0.41) | EPHX2ADRB2CHRM3HTR7HTR1A | |
| SCHEMBL4470442 | 0.90 | CARM1 (0.46) | EPHX2CHRM3HTR7HTR1A | |
| SCHEMBL4494143 | 0.90 | EPHX2 (0.44) | ATREPHX2ADRB2CHRM3HTR7 | |
| SCHEMBL4480375 | 0.90 | EPHX2 (0.44) | ATREPHX2CHRM3HTR7HTR1A | |
| SCHEMBL4480537 | 0.89 | EPHX2 (0.43) | ATREPHX2KMT2AALDH1A1LMNA | |
| SCHEMBL4482918 | 0.89 | EPHX2 (0.43) | EPHX2ADRB2CHRM3HTR7HTR1A |
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 |