Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 2/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31256546 | 0.83 | CA12 (0.56) | CA1CA9CA2CA12CA7 | |
| SCHEMBL398360 | 0.79 | CA1 (1.00) | CA1CA9CA2CA12CA7 | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.77 | CA12 (0.63) | CA1CA9CA2CA12CA7 | |
| SCHEMBL1554492 | 0.76 | CA12 (0.55) | CA1CA9CA2CA12CA7 | |
| SCHEMBL826483 | 0.75 | CA12 (0.53) | CA1CA9CA2CA12CA7 | |
| SCHEMBL536507 | 0.74 | CA12 (0.73) | CA1CA9CA2CA12CA7 | |
| SCHEMBL13403400 | 0.74 | CA12 (0.53) | CA1CA9CA2CA12CA7 | |
| SCHEMBL7782792 | 0.74 | ALDH1A1 (0.61) | CA1CA9CA2CA12CA7 | |
| SCHEMBL7929785 | 0.74 | CA12 (0.52) | CA1CA9CA2CA12CA7 | |
| SCHEMBL10345724 | 0.72 | CA2 (0.51) | CA1CA9CA2CA12CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991009023-A1 | N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-27 | — | — | WO | disclosed |