Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | LSS | P48449 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | PSMB11 | A5LHX3 | 3/20 | 0.32 |
| ▸ | PSMA7 | O14818 | 3/20 | 0.32 |
| ▸ | PSMB1 | P20618 | 3/20 | 0.32 |
| ▸ | PSMA1 | P25786 | 3/20 | 0.32 |
| ▸ | PSMA2 | P25787 | 3/20 | 0.32 |
| ▸ | PSMA3 | P25788 | 3/20 | 0.32 |
| ▸ | PSMA4 | P25789 | 3/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 3/20 | 0.32 |
| ▸ | PSMB9 | P28065 | 3/20 | 0.32 |
| ▸ | PSMA5 | P28066 | 3/20 | 0.32 |
| ▸ | PSMB4 | P28070 | 3/20 | 0.32 |
| ▸ | PSMB6 | P28072 | 3/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.32 |
| ▸ | PSMB10 | P40306 | 3/20 | 0.32 |
| ▸ | PSMB3 | P49720 | 3/20 | 0.32 |
| ▸ | PSMB2 | P49721 | 3/20 | 0.32 |
| ▸ | PSMA6 | P60900 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7994840 | 0.85 | CYP1A2 (0.54) | CYP1A2HTT | |
| SCHEMBL11783981 | 0.83 | CYP1A2 (0.53) | CYP1A2LSSNAAA | |
| SCHEMBL11783986 | 0.83 | CYP1A2 (0.53) | CYP1A2LSSNAAA | |
| SCHEMBL18757630 | 0.80 | CYP1A2 (0.57) | CYP1A2HTT | |
| SCHEMBL7994419 | 0.80 | CYP1A2 (0.57) | CYP1A2HTT | |
| SCHEMBL1524898 | 0.79 | CYP1A2 (0.40) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL6053256 | 0.78 | EPHX1 (0.39) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL9210680 | 0.78 | EPHX1 (0.39) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL4199980 | 0.78 | EPHX1 (0.39) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL28637977 | 0.78 | EPHX1 (0.39) | CYP1A2LSSPKMMEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611039-A | HCV NS3 protease inhibitors | MERCK & CO INC (US) | 2009-12-23 | — | — | CN | disclosed |