Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3975300 | 0.95 | ADRB3 (0.42) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8278112 | 0.95 | ADRB3 (0.42) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL3975313 | 0.94 | CTSB (0.39) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13610494 | 0.94 | CTSB (0.39) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL11975829 | 0.93 | ADRB3 (0.42) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL11975832 | 0.93 | ADRB3 (0.42) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13896381 | 0.93 | ADRB3 (0.42) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8294661 | 0.92 | CTSB (0.39) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL3969646 | 0.92 | ADRB3 (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8278108 | 0.92 | CTSB (0.39) | CTSBADRB3ADRA2BADRA2CCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |