Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.49 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL59197 | 0.79 | PTGS2 (0.74) | PTGS2PTGS1AKR1C3AKR1C2CYP2C9 | |
| SCHEMBL693789 | 0.79 | PTGS2 (0.57) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL14204959 | 0.79 | ALDH1A1 (0.46) | LMNAADRB3BLMALDH1A1KDM4E | |
| SCHEMBL2086181 | 0.78 | TYR (0.52) | CYP2C9LMNANFKB1ALDH1A1KDM4E | |
| SCHEMBL8786127 | 0.77 | PTGS2 (0.55) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL11804282 | 0.77 | PTGS2 (0.55) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9425109 | 0.77 | PTGS2 (0.66) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL7479983 | 0.77 | NR1H4 (0.59) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9823526 | 0.76 | POLB (0.58) | PTGS2NR1H4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL12392170 | 0.75 | ALDH1A1 (0.46) | LMNAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9394275-B2 | Diamide compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150274697-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2015-10-01 | — | — | US | disclosed |
| US-8138345-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-10-28 | — | — | 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 (2 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-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | PTGS2 463/4885NR1H4 306/4885PTGS1 1147/4885 |
| US-20150274697-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | PTGS2 463/4885NR1H4 306/4885PTGS1 1147/4885 |
“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.