Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8203062 | 0.95 | CTSB (0.35) | CTSBPPP3CBHTR3EHTR3BHTR3A | |
| SCHEMBL3496929 | 0.84 | CTSB (0.34) | CTSBPPP3CBHTR3EHTR3BHTR3A | |
| SCHEMBL13402558 | 0.80 | CTSB (0.33) | CTSBPPP3CBELANEKCNH2 | |
| SCHEMBL20292518 | 0.79 | PDE4B (0.33) | CTSBPPP3CBCYP3A4 | |
| SCHEMBL15397439 | 0.79 | PDE4B (0.33) | CTSBPPP3CBCYP3A4 | |
| SCHEMBL2754150 | 0.79 | AAK1 (0.38) | CTSBPPP3CBELANEKCNH2CYP3A4 | |
| SCHEMBL13437245 | 0.76 | CTSB (0.30) | CTSBPPP3CB | |
| SCHEMBL3496077 | 0.76 | STING1 (0.35) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL14092829 | 0.75 | CTSB (0.56) | CTSBPPP3CBCYP3A4 | |
| SCHEMBL1072404 | 0.75 | PDE4B (0.33) | CTSBPPP3CBCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008051514-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |