Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.61 |
| ▸ | CTSB | P07858 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12362375 | 1.00 | CTSS (0.61) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL996124 | 0.93 | CTSS (0.52) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8251425 | 0.93 | CTSS (0.52) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8220315 | 0.93 | CTSS (0.68) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995653 | 0.93 | CTSS (0.68) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995651 | 0.93 | CTSS (0.68) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL1103803 | 0.93 | CTSS (0.71) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995667 | 0.93 | CTSS (0.71) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995668 | 0.93 | CTSS (0.71) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995669 | 0.93 | CTSS (0.71) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008251-B2 | Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-30 | — | — | US | disclosed |
| EP-1913014-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-01-26 | — | — | EP | disclosed |