Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.37 |
| ▸ | CA2 | P00918 | 10/20 | 0.37 |
| ▸ | CA9 | Q16790 | 9/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2417317 | 0.93 | ADRB2 (0.42) | CA1CA2ADRB2ADRB1ADRB3 | |
| SCHEMBL19360695 | 0.82 | — | — | |
| SCHEMBL2414342 | 0.80 | CA1 (0.39) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6610038 | 0.78 | CA1 (0.38) | CA1CA2CA9CA12LPAR3 | |
| SCHEMBL2421173 | 0.78 | CA1 (0.38) | CA1CA2CA9CA12LPAR3 | |
| SCHEMBL9006918 | 0.78 | CA1 (0.41) | CA1CA2CA9CA12CA7 | |
| SCHEMBL23268482 | 0.77 | SMPD1 (0.33) | CA1CA2CA9CA12CA7 | |
| SCHEMBL22788087 | 0.76 | CES1 (0.39) | CA1CA2CA9CA12LPAR3 | |
| SCHEMBL29264831 | 0.76 | CA1 (0.37) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1817037 | 0.76 | CA1 (0.40) | CA1CA2CA9CA12LPAR3 |
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-2010010412-A2 | METHOD FOR THE PREPARATION OF N-METHYL-ARYLOXY-PROPANAMINE DERIVATIVES | LUKÁCS, Gyula (HU) | 2010-01-28 | — | — | WO | disclosed |