Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL8581227 | 0.73 | CYP19A1 (0.40) | CYP3A4CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL598722 | 0.73 | GAA (0.57) | GAACYP3A4CYP2D6IDO1TDO2 | |
| SCHEMBL13209404 | 0.70 | DGAT1 (0.33) | — | |
| SCHEMBL8580032 | 0.69 | CYP11B1 (0.34) | CYP1A2CYP3A4CYP2D6CYP11B2CYP11B1 | |
| SCHEMBL8581484 | 0.68 | ALDH1A1 (0.31) | CYP3A4CYP2D6CYP11B2CYP11B1CYP2C19 | |
| SCHEMBL8577797 | 0.68 | TYK2 (0.40) | KMT2AALOX15 | |
| SCHEMBL1106088 | 0.67 | DGAT1 (0.35) | CYP1A2CYP3A4CYP2D6CYP19A1 | |
| Alcohol SCHEMBL598781 | 0.66 | GAA (0.50) | GAACYP1A2CYP3A4CYP2D6IDO1 | |
| SCHEMBL8745916 | 0.66 | GAA (0.59) | GAACYP2D6IDO1TDO2ESR1 | |
| SCHEMBL23610041 | 0.65 | GAA (0.54) | GAAIDO1TDO2ESR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5773388-A | Pyrimidine derivatives, herbicides and plant growth regulators | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0713872-A1 | NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-05-29 | — | — | EP | disclosed |