Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10696085 | 0.79 | MAPT (0.45) | ESR2PLAUMEN1ALDH1A1MAPK1 | |
| SCHEMBL10873431 | 0.78 | ESR2 (0.45) | ESR2NR1H2NR1H3 | |
| SCHEMBL13382520 | 0.71 | BRD4 (0.44) | ESR2SMN1; SMN2 | |
| SCHEMBL23185740 | 0.71 | ESR2 (0.59) | ESR2NR1H2NR1H3 | |
| SCHEMBL6874305 | 0.70 | MAPT (0.54) | MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2 | |
| SCHEMBL8594892 | 0.69 | SPHK1 (0.47) | ESR2ALDH1A1 | |
| SCHEMBL8594887 | 0.69 | ESR2 (0.38) | ESR2NR1H2NR1H3 | |
| SCHEMBL8594889 | 0.69 | ESR2 (0.38) | ESR2NR1H2NR1H3 | |
| SCHEMBL586534 | 0.68 | NR1H2 (0.50) | ESR2NR1H2NR1H3 | |
| SCHEMBL2681419 | 0.67 | CHRNB2 (0.35) | MEN1ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253501-A2 | N-disubstituted cycloalkylmethyl amines useful as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-20 | — | — | EP | disclosed |