Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8221523 | 1.00 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL2214691 | 1.00 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL2214696 | 1.00 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL8171007 | 0.93 | CTSB (0.38) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL8278237 | 0.92 | CTSB (0.40) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL8239469 | 0.92 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL995545 | 0.92 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL995543 | 0.92 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL8382394 | 0.91 | CTSB (0.41) | CTSBCTSSCYP3A4ADRB3ADRA2B | |
| SCHEMBL4212027 | 0.89 | ADRB3 (0.43) | CTSBCTSSCYP3A4ADRB3ADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7989471-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-02 | — | — | US | disclosed |
| EP-1912995-B1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-07-27 | — | — | EP | disclosed |