Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 7/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 6/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 6/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 6/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9842341 | 0.96 | MEN1 (0.51) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842259 | 0.92 | CACNA1F (0.51) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842137 | 0.92 | MEN1 (0.53) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842303 | 0.89 | CACNA1F (0.49) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842242 | 0.89 | ADORA3 (0.53) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842055 | 0.87 | CACNA1F (0.43) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842297 | 0.86 | CACNA1F (0.51) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842195 | 0.86 | MEN1 (0.48) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9842224 | 0.85 | ADORA3 (0.53) | MEN1KMT2ACACNA1CCACNA1FCACNA1D | |
| SCHEMBL9842339 | 0.85 | CACNA1F (0.45) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 |
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-0461264-A1 | ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |