Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21598159 | 0.84 | KDM4E (0.42) | ALDH1A1KDM4ECHRNB2CHRNA4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL939167 | 0.80 | ARG1 (0.34) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| Carbamic Acid SCHEMBL5440201 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4ECHRNB2CHRNA4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL29158076 | 0.77 | FUCA1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL3762882 | 0.77 | ARG1 (0.39) | ALDH1A1KDM4ECHRNB2CHRNA4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL21598176 | 0.77 | KDM1A (0.33) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL30839180 | 0.77 | ARG1 (0.39) | ALDH1A1KDM4ECHRNB2CHRNA4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL15995379 | 0.75 | TSHR (0.40) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL31601887 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL23234980 | 0.74 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1711183-A4 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2009-04-01 | — | — | EP | disclosed |
| EP-1711183-A2 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005067537-A2 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2005-07-28 | — | — | WO | disclosed |