Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14166191 | 0.87 | POLB (0.58) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL14166400 | 0.86 | POLB (0.60) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL14166368 | 0.82 | CHRM3 (0.37) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL14166433 | 0.75 | CHRM2 (0.59) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL14239683 | 0.75 | HTT (0.58) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL290176 | 0.74 | CHRM2 (0.70) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL13574070 | 0.74 | CHRM2 (0.70) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| SCHEMBL13574067 | 0.74 | CHRM2 (0.70) | POLBALDH1A1CHRM2CHRM1KCNH2 | |
| Glycopyrronium SCHEMBL29496833 | 0.73 | CHRM3 (0.76) | ALDH1A1CHRM2CHRM1KCNH2HRH1 | |
| SCHEMBL3913293 | 0.72 | ALDH1A1 (0.70) | POLBALDH1A1CHRM2CHRM1KCNH2 |
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-2718281-B1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMA SPA (IT) | 2015-09-09 | — | — | EP | disclosed |
| US-9012644-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2015-04-21 | — | — | US | disclosed |
| EP-2718281-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Chiesi Farmaceutici S.p.A. (IT) | 2014-04-16 | — | — | EP | disclosed |
| US-20130034504-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-02-07 | — | — | US | disclosed |
| WO-2012168349-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-12-13 | — | — | WO | 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-20130034504-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2B | OPRM1 53/4885POLB 1500/4885ALDH1A1 1158/4885 |
“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.