Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 8/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | TOP2A | P11388 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL828800 | 0.99 | CHRM3 (0.66) | CHRM3CHRM2CHRM1NPC1HSP90AB1 | |
| SCHEMBL21059271 | 0.85 | L3MBTL1 (0.53) | CHRM3NPC1HPGDL3MBTL1MEN1 | |
| SCHEMBL264806 | 0.81 | CHRM3 (1.00) | CHRM3CHRM2CHRM1 | |
| SCHEMBL29635976 | 0.81 | CHRM3 (1.00) | CHRM3CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL1922779 | 0.80 | CHRM3 (0.97) | CHRM3CHRM2CHRM1 | |
| SCHEMBL4014578 | 0.80 | CHRM3 (0.57) | CHRM3LMNA | |
| SCHEMBL27347819 | 0.79 | CHRM3 (0.66) | CHRM3LMNA | |
| SCHEMBL828948 | 0.79 | CHRM3 (0.62) | CHRM3CHRM2CHRM1NPC1MEN1 | |
| SCHEMBL18122612 | 0.78 | CHRM3 (0.83) | CHRM3CHRM2CHRM1 | |
| SCHEMBL828116 | 0.77 | CHRM3 (0.63) | CHRM3CHRM2CHRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143277-B2 | Method of using compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20090239904-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| US-7569586-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-20080090873-A1 | Sulfonamide derivatives | PFIZER INC. | 2008-04-17 | — | — | US | disclosed |
| US-20080090873-A1 | Sulfonamide derivatives | PFIZER INC. | 2008-04-17 | — | — | US | disclosed |
| EP-1833822-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006023460-A2 | COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060035933-A1 | Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-02-16 | — | — | 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-20060035933-A1 | Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB1, ADRA1B | CHRM3 12/4885CHRM2 8/4885CHRM1 11/4885 |
| US-20080090873-A1 | Sulfonamide derivatives | SULT2A1, SULT1A1, STS | CHRM3 2453/4885CHRM2 2874/4885CHRM1 3257/4885 |
| US-20090239904-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ADRA2B, ADRB2, ADRB1 | CHRM3 12/4885CHRM2 7/4885CHRM1 11/4885 |
“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.