Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1363015 | 0.84 | GRM5 (0.48) | GRM5CYP1A2HRH2HRH1MGLL | |
| SCHEMBL3398110 | 0.82 | GRM5 (0.52) | GRM5CYP1A2HRH2HRH1MGLL | |
| SCHEMBL13753275 | 0.82 | HSD17B3 (0.37) | GRM5CYP1A2CYP3A4HSD17B3 | |
| SCHEMBL8017704 | 0.79 | HSD11B1 (0.41) | GRM5CYP1A2CYP3A4XDHHSD17B3 | |
| SCHEMBL6393733 | 0.78 | GRM5 (0.51) | GRM5CYP1A2MGLLCYP3A4CYP2D6 | |
| SCHEMBL6399053 | 0.75 | GRM5 (0.46) | GRM5CYP1A2MGLLMAOAMAOB | |
| SCHEMBL9140000 | 0.69 | LSS (0.49) | GRM5CYP1A2MGLLCYP3A4SLC6A7 | |
| SCHEMBL6391453 | 0.67 | GPR119 (0.47) | GRM5USP30 | |
| Iodide SCHEMBL6394307 | 0.67 | GPR119 (0.46) | GRM5USP30 | |
| SCHEMBL12053473 | 0.67 | GRM5 (0.43) | GRM5USP30 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084449-B2 | Dual pharmacophores—PDE4-muscarinic antagonistics | GLAXO GROUP LIMITED (GB) | 2011-12-27 | — | — | US | disclosed |
| US-8067408-B2 | Dual pharmacophores—PDE4-muscarinic antagonistics | GLAXO GROUP LIMITED (GB) | 2011-11-29 | — | — | US | disclosed |
| WO-2009100170-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100167-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100169-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| US-20090203677-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | US | disclosed |
| WO-2009100168-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100166-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| US-20090203657-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | US | disclosed |
| US-20090197871-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | GLAXO GROUP LIMITED (GB) | 2009-08-06 | — | — | 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-20090203677-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | PDE4A, PDE4B, PDE1A | GRM5 936/4885CYP1A2 129/4885HRH2 94/4885 |
| US-20090203657-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | PDE4A, PDE1A, PDE4B | GRM5 1506/4885CYP1A2 114/4885HRH2 328/4885 |
| US-20090197871-A1 | Dual Pharmacophores - PDE4-Muscarinic Antagonistics | PDE4B, PDE4A, CHRM4 | GRM5 802/4885CYP1A2 267/4885HRH2 78/4885 |
“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.