Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PTGFR | P43088 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11857168 | 0.79 | CASP1 (0.47) | ALDH1A1CASP1 | |
| SCHEMBL10833308 | 0.79 | ESR1 (0.53) | KMT2AHSP90AA1ALDH1A1HDAC1HDAC6 | |
| SCHEMBL10832477 | 0.79 | L3MBTL1 (0.50) | KMT2AHSP90AA1MEN1ALDH1A1CNR1 | |
| SCHEMBL11853400 | 0.77 | L3MBTL1 (0.51) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL11852028 | 0.77 | CASP1 (0.45) | KMT2AMEN1ALDH1A1CASP1CYP3A4 | |
| SCHEMBL9221676 | 0.77 | CASP1 (0.42) | KMT2AALDH1A1CASP1 | |
| SCHEMBL23886940 | 0.76 | CASP1 (0.46) | KMT2AALDH1A1CASP1 | |
| SCHEMBL30370265 | 0.76 | CASP1 (0.46) | KMT2AALDH1A1CASP1 | |
| SCHEMBL11862712 | 0.76 | CASP1 (0.44) | KMT2AMEN1CASP1CNR2CYP3A4 | |
| SCHEMBL11851346 | 0.76 | ESR1 (0.49) | CNR1CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4598085-A | Fungicidal 1-(2-aryl-2-R-ethyl)-1H-1,2,4-triazoles | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-07-01 | — | — | US | disclosed |