Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4388788 | 0.90 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL1922778 | 0.89 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20556168 | 0.80 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6621005 | 0.79 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20556077 | 0.77 | SLC6A4 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4767301 | 0.73 | CXCR2 (0.38) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL27979356 | 0.71 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL28206303 | 0.70 | CHRNA4 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20555975 | 0.70 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL4997661 | 0.70 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685118-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-1594860-A2 | LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance Inc (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2005051946-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2004074812-A2 | LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE INC (US) | 2004-09-02 | — | — | WO | disclosed |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-08-26 | — | — | 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 (1 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-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB1, ADRB2, ADRA2B | SLC6A2 1792/4885SLC6A4 3754/4885SLC6A3 1454/4885 |
“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.