Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13047541 | 1.00 | CTSB (0.56) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13047659 | 1.00 | CTSB (0.56) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL14905657 | 1.00 | CTSB (0.56) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL14905673 | 1.00 | CTSB (0.56) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13047663 | 1.00 | CTSB (0.56) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL14905668 | 0.93 | CTSB (0.60) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13047666 | 0.93 | CTSB (0.60) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13047553 | 0.93 | CTSB (0.60) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL1462139 | 0.91 | CTSB (0.54) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL1462130 | 0.91 | CTSB (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| US-8435984-B2 | Tertiary amine substituted peptides useful as inhibitors of HCV replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2013-05-07 | — | — | US | claimed |