Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724818 | 1.00 | CYP2A6 (0.41) | CYP2A6CPB1PTGS2TP53MDM2 | |
| SCHEMBL9724816 | 1.00 | CYP2A6 (0.41) | CYP2A6CPB1PTGS2TP53MDM2 | |
| SCHEMBL8993540 | 0.84 | PTGS2 (0.45) | PTGS2ALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL3720341 | 0.84 | PTGS2 (0.45) | PTGS2ALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL11003541 | 0.84 | PTGS2 (0.45) | PTGS2ALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL9724997 | 0.78 | GAA (0.44) | CYP2A6CPB1TP53MDM2ALDH1A1 | |
| SCHEMBL9724918 | 0.78 | CPB1 (0.38) | CYP2A6CPB1TP53MDM2ALDH1A1 | |
| SCHEMBL9724994 | 0.78 | GAA (0.44) | CYP2A6CPB1TP53MDM2ALDH1A1 | |
| SCHEMBL9724922 | 0.78 | CPB1 (0.38) | CYP2A6CPB1TP53MDM2ALDH1A1 | |
| SCHEMBL9724999 | 0.78 | GAA (0.44) | CYP2A6CPB1TP53MDM2ALDH1A1 |
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-5162357-A | FUNGICIDAL AZOLYLMETHYLOXIRANES | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0421125-A2 | Fungicidal azolylmethyloxiranes | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |