Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9721750 | 0.76 | KDM4E (0.46) | HTR2AHTR2CIDO1 | |
| SCHEMBL12303658 | 0.73 | CES2 (0.49) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL5225559 | 0.73 | ADRA2C (0.57) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL7145782 | 0.73 | ADRA2C (0.57) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL17121793 | 0.72 | CES2 (0.39) | CES2CES1CYP3A4ADRB2HSD17B10 | |
| SCHEMBL10306200 | 0.72 | CES2 (0.47) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL14539581 | 0.72 | CES2 (0.47) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL28155953 | 0.72 | CES2 (0.47) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5354434 | 0.72 | KDM4E (0.58) | CES2CES1PDE2ASLC6A2CYP3A4 | |
| SCHEMBL8580203 | 0.71 | CES2 (0.41) | CES2CES1SLC6A2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0567982-B1 | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5466820-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-14 | — | — | US | disclosed |
| US-5371101-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0567982-A1 | Azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-11-03 | — | — | EP | disclosed |