Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27660866 | 1.00 | EPHX1 (0.46) | EPHX1MAOBALPIPKMPTGS1 | |
| SCHEMBL8666884 | 0.84 | CYP1A2 (0.47) | MAOBALPIPKMPTGS1XIAP | |
| SCHEMBL6882862 | 0.81 | MAOB (0.48) | EPHX1MAOBALPIPKMPTGS1 | |
| SCHEMBL9051266 | 0.81 | BCAT2 (0.39) | EPHX1MAOBALPIPKMPTGS1 | |
| SCHEMBL6342050 | 0.80 | ALOX5 (0.36) | EPHX1MAOBALPIPKMPTGS1 | |
| SCHEMBL9052278 | 0.79 | MMP8 (0.50) | — | |
| SCHEMBL3131488 | 0.79 | HPGD (0.38) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL8411083 | 0.77 | MMP9 (0.43) | MAOBCYP1A2 | |
| SCHEMBL3135798 | 0.76 | ACE (0.42) | — | |
| SCHEMBL7562914 | 0.76 | ALDH1A1 (0.44) | CYP1A2ALDH1A1POLB |
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-104968657-A | Substituted triazole and imidazole compounds | HOFFMANN LA ROCHE | 2015-10-07 | — | — | CN | disclosed |