Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3108792 | 1.00 | KEAP1 (0.57) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL3094513 | 1.00 | KEAP1 (0.57) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL3092950 | 0.98 | KEAP1 (0.58) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL1233200 | 0.98 | KEAP1 (0.58) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL3092906 | 0.98 | KEAP1 (0.58) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL1235330 | 0.88 | KEAP1 (0.45) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL1233198 | 0.86 | KEAP1 (0.46) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL1234283 | 0.84 | KEAP1 (0.42) | KEAP1NFE2L2ALDH1A1HPGDCHRM3 | |
| SCHEMBL2764243 | 0.75 | KEAP1 (0.96) | KEAP1NFE2L2ALDH1A1CHRM3CHRM2 | |
| SCHEMBL3909615 | 0.75 | KEAP1 (0.96) | KEAP1NFE2L2ALDH1A1CHRM3CHRM2 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893087-B2 | 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis | ALMIRALL, S.A. (ES) | 2011-02-22 | — | — | US | claimed |
| US-20100234332-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | PRAT QUINONES MARIA | 2010-09-16 | — | — | US | claimed |
| US-20070129398-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2007-06-07 | — | — | US | claimed |
| US-20070105897-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2007-05-10 | — | — | US | claimed |
| US-7122558-B2 | Quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL PRODESFARMA AG (CH) | 2006-10-17 | — | — | US | claimed |
| EP-1353919-B1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | ALMIRALL PRODESFARMA AG (CH) | 2006-07-26 | — | — | EP | claimed |
| US-20040072863-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2004-04-15 | — | — | US | claimed |
| EP-1353919-A2 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2003-10-22 | — | — | EP | claimed |
| WO-2002053564-A2 | QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2002-07-11 | — | — | WO | claimed |
| US-7893087-B2 | 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis | ALMIRALL, S.A. (ES) | 2011-02-22 | — | — | US | disclosed |
| US-7879874-B2 | 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis | ALMIRALL, S.A. (ES) | 2011-02-01 | — | — | US | disclosed |
| US-20100234332-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | PRAT QUINONES MARIA | 2010-09-16 | — | — | US | disclosed |
| US-20070129398-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2007-06-07 | — | — | US | disclosed |
| US-20070129420-A1 | New pyrrolidinium derivatives | ALMIRALL PRODESFARMA SA | 2007-06-07 | — | — | US | disclosed |
| US-20050282875-A1 | Pyrrolidinium derivatives | LABORATORIOS ALMIRALL S.A. (ES) | 2005-12-22 | — | — | US | disclosed |
| EP-1497284-A2 | PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS | Almirall Prodesfarma AG (CH) | 2005-01-19 | — | — | EP | disclosed |
| US-20040072863-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2004-04-15 | — | — | US | disclosed |
| WO-2003087094-A2 | PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS | ALMIRALL PRODESFARMA AG (CH) | 2003-10-23 | — | — | WO | disclosed |
| EP-1353919-A2 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002053564-A2 | QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2002-07-11 | — | — | 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 (6 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-20050282875-A1 | Pyrrolidinium derivatives | CHRM3, CHRM2, CHRM1 | KEAP1 4304/4885NFE2L2 4408/4885ALDH1A1 975/4885 |
| US-20070129420-A1 | New pyrrolidinium derivatives | CHRM3, CHRM2, CHRM1 | KEAP1 4285/4885NFE2L2 4317/4885ALDH1A1 1369/4885 |
| US-20070129398-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | NR0B1, NR2C2, NR1I3 | KEAP1 1729/4885NFE2L2 1063/4885ALDH1A1 1964/4885 |
| US-20100234332-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | NR0B1, NR4A1, NR0B2 | KEAP1 1990/4885NFE2L2 1361/4885ALDH1A1 1880/4885 |
| US-20040072863-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | CYP11B1, CYP3A7, CBR1 | KEAP1 1020/4885NFE2L2 901/4885ALDH1A1 1368/4885 |
| US-20070105897-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | NR0B1, NR4A1, NR0B2 | KEAP1 1689/4885NFE2L2 1259/4885ALDH1A1 1864/4885 |
“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.