Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1190614 | 0.85 | GAA (0.54) | GAATSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1191075 | 0.80 | CHRM3 (0.44) | LMNACYP2C19MAPT | |
| SCHEMBL701602 | 0.76 | CHRM3 (0.59) | — | |
| SCHEMBL18239944 | 0.76 | CHRM3 (0.54) | — | |
| SCHEMBL697851 | 0.76 | CHRM3 (0.59) | — | |
| SCHEMBL13717362 | 0.74 | SIGMAR1 (0.70) | GAATSHRMAPK1ALDH1A1ALPL | |
| SCHEMBL699038 | 0.73 | CHRM3 (0.51) | — | |
| SCHEMBL13589879 | 0.73 | TSHR (0.67) | GAATSHRMAPK1ALDH1A1CYP2C19 | |
| SCHEMBL18239893 | 0.72 | CHRM3 (0.56) | — | |
| SCHEMBL1191254 | 0.71 | CHRM3 (0.67) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247564-B2 | Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20110034694-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2011-02-10 | — | — | US | disclosed |
| US-7842704-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-7838535-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| EP-1685118-B1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20080097105-A1 | Biphenyl-2-ylcarbamic Acid 1-{9-[2-(4-Hydroxy-2-oxo-2,3-dihydrobenzothiazol-7-yl)-ethylamino]nonyl}piperidin-4-yl Ester Bis(trifluoroacetate) Salt; chronic obstructive pulmonary disease, asthma; bronchodilators | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-04-24 | — | — | US | disclosed |
| US-20080096911-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-04-24 | — | — | US | disclosed |
| US-7345060-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| EP-1685118-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005051946-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2005-06-09 | — | — | WO | disclosed |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-05-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080097105-A1 | Biphenyl-2-ylcarbamic Acid 1-{9-[2-(4-Hydroxy-2-oxo-2,3-dihydrobenzothiazol-7-yl)-ethylamino]nonyl}piperidin-4-yl Ester Bis(trifluoroacetate) Salt; chronic obstructive pulmonary disease, asthma; bronchodilators | ADRA2B, ADRA1B, ADRB1 | GAA 2672/4885TSHR 1376/4885MAPK1 2630/4885 |
| US-20080096911-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB2, ADRB1 | GAA 4144/4885TSHR 113/4885MAPK1 1614/4885 |
| US-20110034694-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ADRA2B, ADRB2, ADRB1 | GAA 4144/4885TSHR 113/4885MAPK1 1614/4885 |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB2, ADRB1 | GAA 4144/4885TSHR 113/4885MAPK1 1614/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.