Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL11983928 | 0.94 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL8202772 | 0.94 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL13059576 | 0.94 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL6384336 | 0.94 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL13924635 | 0.93 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL11976261 | 0.92 | CTSB (0.39) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL11976262 | 0.92 | CTSB (0.39) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL13082706 | 0.92 | CTSB (0.39) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL11976315 | 0.91 | CTSB (0.39) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL12808087 | 0.90 | CYP3A4 (0.32) | CTSBCYP3A4ADRB3ADRA2BADRA2C |
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-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |