Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352383 | 0.84 | ADRB2 (0.37) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL15509647 | 0.81 | ADRB2 (0.47) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL16173875 | 0.80 | ADRB2 (0.40) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL13534143 | 0.80 | ADRB2 (0.40) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11243062 | 0.80 | ADRB2 (0.40) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL19091377 | 0.79 | HPGD (0.40) | THRBADRB2ADRB1ADRB3 | |
| SCHEMBL4373913 | 0.79 | — | — | |
| SCHEMBL4139553 | 0.79 | — | — | |
| SCHEMBL4374793 | 0.79 | — | — | |
| SCHEMBL13541028 | 0.78 | ADRB2 (0.39) | ADRB2ADRB1ADRB3CYP2D6PTGS1 |
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-2013093943-A1 | PHENOLYTIC KINETIC RESOLUTION OF AZIDO AND ALKOXY EPOXIDES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-06-27 | — | — | WO | disclosed |