Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.39 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 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 | |
|---|---|---|---|---|
| SCHEMBL11569209 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP19A1ESR1CYP2B6TBXAS1 | |
| SCHEMBL11235352 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP19A1ESR1TBXAS1CYP11B1 | |
| SCHEMBL12391736 | 0.76 | ALDH1A1 (0.62) | ALDH1A1CYP19A1TBXAS1HMOX2FDPS | |
| SCHEMBL11235356 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP19A1ESR1TBXAS1CYP11B1 | |
| SCHEMBL11234254 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP19A1ESR1TBXAS1FDPS | |
| SCHEMBL11234253 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP19A1ESR1TBXAS1FDPS | |
| SCHEMBL4682316 | 0.70 | — | — | |
| Water SCHEMBL11132078 | 0.69 | TBXA2R (0.58) | ALDH1A1CYP19A1ESR1TBXAS1QPCT | |
| SCHEMBL11248682 | 0.68 | FDPS (0.39) | FDPS | |
| SCHEMBL11248685 | 0.68 | FDPS (0.39) | FDPS |
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-0005780-A1 | N,N'-asymmetrically substituted thio-bis-amines, process for their preparation and their use as insecticides, acaricides and nematocides | BAYER AG (DE) | 1979-12-12 | — | — | EP | disclosed |