Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8294162 | 0.92 | ADRB3 (0.45) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL8295366 | 0.91 | ADRB3 (0.38) | ADRB3ADRA2BADRA2C | |
| SCHEMBL3970561 | 0.91 | ADRB3 (0.38) | ADRB3ADRA2BADRA2C | |
| SCHEMBL8278130 | 0.89 | ADRB3 (0.39) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL13896386 | 0.88 | ADRB3 (0.43) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL8278254 | 0.88 | ADRB3 (0.39) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL8295369 | 0.88 | ADRB3 (0.40) | ADRB3ADRA2BADRA2CPOLB | |
| SCHEMBL13923955 | 0.87 | ADRB3 (0.48) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL3974766 | 0.86 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CALDH1A1MAPT | |
| SCHEMBL3974770 | 0.86 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CALDH1A1MAPT |
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-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2005095403-A2 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | INTERMUNE, INC. (US) | 2005-10-13 | — | — | WO | disclosed |