Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | MAPK12 | P53778 | 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 | |
|---|---|---|---|---|
| SCHEMBL4958201 | 0.87 | CYP1A2 (0.38) | CES2CES1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL4962287 | 0.83 | CYP17A1 (0.36) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4959314 | 0.80 | SLC6A2 (0.37) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL4958189 | 0.79 | CYP19A1 (0.38) | CYP1A2PKMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4959528 | 0.79 | SLC6A2 (0.39) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4960190 | 0.79 | POLB (0.41) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4957486 | 0.75 | CYP1A2 (0.51) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4958346 | 0.75 | AOC3 (0.38) | CYP1A2SMN1; SMN2LMNACYP2C9CYP2C19 | |
| SCHEMBL4957523 | 0.74 | CYP1A2 (0.37) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4958071 | 0.73 | CYP19A1 (0.51) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |