Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SELL | P14151 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
| ▸ | YARS1 | P54577 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19996053 | 0.82 | ADRA2A (0.33) | SELLSELPYARS1ADRA2AADRA2B | |
| SCHEMBL29875170 | 0.73 | TYR (0.40) | — | |
| SCHEMBL272404 | 0.71 | BCHE (0.46) | SELLSELPADRA2AADRA2BADRA2C | |
| SCHEMBL15687993 | 0.71 | SELL (0.34) | SELLSELPYARS1ADRA2AADRA2B | |
| Propionaldehyde SCHEMBL27318810 | 0.70 | ALDH1A1 (0.47) | SELLSELPERN1 | |
| SCHEMBL27759494 | 0.70 | YARS1 (0.39) | YARS1 | |
| SCHEMBL7716592 | 0.70 | SRC (0.37) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL3916363 | 0.69 | ADRA2A (0.40) | SELLSELPYARS1ADRA2AADRA2B | |
| SCHEMBL19003631 | 0.69 | — | — | |
| Formic Acid SCHEMBL2160835 | 0.69 | SELL (0.48) | SELLSELPERN1 |
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-2017106861-A1 | COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-06-22 | — | — | WO | disclosed |