Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11684387 | 0.90 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4CYP2D6CA1 | |
| SCHEMBL9292846 | 0.85 | TSHR (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6HTT | |
| SCHEMBL18757583 | 0.84 | CXCR4 (0.38) | CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL6448611 | 0.80 | — | — | |
| SCHEMBL7093264 | 0.80 | MEN1 (0.31) | KMT2AMEN1 | |
| SCHEMBL11460652 | 0.79 | KCNH3 (0.43) | HTTALDH1A1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL2354445 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP3A4CYP2D6HTT | |
| SCHEMBL17563728 | 0.76 | POLB (0.40) | CYP1A2CYP2C19HTTALDH1A1ESR1 | |
| SCHEMBL2697123 | 0.74 | CYP1A2 (0.58) | CYP1A2CYP2C19HTTALDH1A1KMT2A | |
| SCHEMBL6270062 | 0.74 | KMT2A (0.50) | CYP1A2CYP2C19HTTALDH1A1ESR1 |
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-1587786-A1 | 2.4-DIHALOGEN-6-(C sb 2 /sb -C sb 3 /sb -ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES | Bayer CropScience Aktiengesellschaft (DE) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004065366-A1 | 2.4-DIHALOGEN-6-(C2-C3-ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-08-05 | — | — | WO | disclosed |