Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 1.00 |
| ▸ | CTSB | P07858 | 1/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Simeprevir SCHEMBL2229194 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL18539068 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL6876363 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL829744 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL25465130 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL12445256 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL25465866 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL826061 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL18537915 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL18697017 | 1.00 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271936-B1 | IN VITRO METHOD TO DETERMINE WHETHER A DRUG CANDIDATE ACTIVE AGAINST A TARGET PROTEIN IS ACTIVE AGAINST A VARIANT OF SAID PROTEIN | VALNEVA (FR) | 2015-05-06 | — | — | EP | disclosed |
| EP-2271936-A1 | IN VITRO METHOD TO DETERMINE WHETHER A DRUG CANDIDATE ACTIVE AGAINST A TARGET PROTEIN IS ACTIVE AGAINST A VARIANT OF SAID PROTEIN | Vivalis (FR) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009112592-A1 | IN VITRO METHOD TO DETERMINE WHETHER A DRUG CANDIDATE ACTIVE AGAINST A TARGET PROTEIN IS ACTIVE AGAINST A VARIANT OF SAID PROTEIN | VIVALIS (FR) | 2009-09-17 | — | — | WO | disclosed |