Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL825962 | 0.99 | GAA (0.64) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL16511117 | 0.87 | GAA (0.83) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL16511120 | 0.86 | GAA (0.81) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL13065455 | 0.85 | GAA (0.67) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL2822477 | 0.80 | KMT2A (0.76) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL16511225 | 0.79 | ALDH1A1 (0.75) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL16511119 | 0.77 | ALDH1A1 (0.73) | GAASMN1; SMN2CYP2D6POLBKMT2A | |
| SCHEMBL14853581 | 0.75 | HASPIN (0.53) | GAACYP2D6POLBALDH1A1HRH3 | |
| SCHEMBL14853590 | 0.75 | CD274 (0.64) | POLBKMT2AALDH1A1 | |
| SCHEMBL7644013 | 0.75 | GAA (0.71) | GAASMN1; SMN2CYP2D6POLBKMT2A |
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 7 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 |
| 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-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-7345060-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2008-03-18 | — | — | 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 (3 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 2672/4885SMN1; SMN2 3776/4885CYP2D6 173/4885 |
| US-20080096911-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB2, ADRB1 | GAA 4144/4885SMN1; SMN2 2555/4885CYP2D6 322/4885 |
| US-20110034694-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ADRA2B, ADRB2, ADRB1 | GAA 4144/4885SMN1; SMN2 2555/4885CYP2D6 322/4885 |
“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.