Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 6/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2519731 | 0.84 | HCAR3 (0.34) | HCAR3NUDT1EDNRAADRA2AADRA2B | |
| SCHEMBL2519734 | 0.84 | HCAR3 (0.34) | HCAR3NUDT1EDNRAADRA2AADRA2B | |
| SCHEMBL12212102 | 0.80 | NUDT1 (0.39) | HCAR3NUDT1EDNRAADRA2AADRA2B | |
| SCHEMBL17082679 | 0.73 | HCAR3 (0.53) | HCAR3EDNRAADRA2AADRA2BADRA2C | |
| SCHEMBL12212247 | 0.71 | HCAR3 (0.36) | HCAR3NUDT1EDNRAADRA2AADRA2B | |
| SCHEMBL18307133 | 0.70 | HCAR3 (0.56) | HCAR3EDNRAADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL2562040 | 0.70 | HCAR3 (0.35) | HCAR3NUDT1EDNRAADRA2AADRA2B | |
| SCHEMBL28521123 | 0.70 | NPC1 (0.43) | RAB9A | |
| SCHEMBL17409817 | 0.68 | RAB9A (0.49) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL6986721 | 0.68 | HCAR3 (0.45) | HCAR3HCAR2LMNAMAPTRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |