Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9195837 | 0.89 | CYP3A4 (0.42) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL9195834 | 0.89 | CYP3A4 (0.42) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL8815519 | 0.85 | CYP3A4 (0.61) | CYP3A4THRBCYP2C9KDM4EHSP90AA1 | |
| SCHEMBL8815515 | 0.85 | CYP3A4 (0.61) | CYP3A4THRBCYP2C9KDM4EHSP90AA1 | |
| SCHEMBL8781569 | 0.84 | MAPK1 (0.40) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL7655138 | 0.84 | MAPK1 (0.40) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL20621487 | 0.81 | GAA (0.50) | CYP3A4THRBCYP19A1GAAHSD17B10 | |
| SCHEMBL3467654 | 0.80 | CYP3A4 (0.48) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL2557411 | 0.80 | CYP3A4 (0.48) | CYP3A4THRBCYP19A1CYP2C9GAA | |
| SCHEMBL8813224 | 0.80 | CYP3A4 (0.46) | CYP3A4THRBCYP19A1CYP2C9GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495024-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5371100-A | An 1-(1H-1,2,4-triazolyl) or 1-(1H-imidazolyl)-2-phenyl-3-(1H or 2H-tetrazolyl)-2-alkylol or alkyloxyacetyl fungicides for fungal infections | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0548553-A1 | Optically active azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-06-30 | — | — | EP | disclosed |