Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060795 | 1.00 | TSHR (0.46) | TSHRALOX15CASP1ALDH1A1HPGD | |
| SCHEMBL8060765 | 0.87 | HDAC3 (0.46) | TSHRALOX15CASP1ALDH1A1HPGD | |
| SCHEMBL11887309 | 0.86 | — | — | |
| SCHEMBL15199826 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL122266 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL14452765 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL1395933 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL19186454 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL29445765 | 0.85 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL14301163 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0775696-B1 | AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2000-07-19 | — | — | EP | disclosed |
| EP-0775696-A1 | AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD | KumaiI Chemical Industry Co., Ltd. (JP) | 1997-05-28 | — | — | EP | disclosed |