Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7793747 | 0.85 | ALDH1A1 (0.37) | ALDH1A1TP53TDP1TSHRTRPA1 | |
| SCHEMBL5748128 | 0.81 | CYP2A6 (0.39) | ALDH1A1TDP1TSHR | |
| SCHEMBL1241635 | 0.73 | TLR8 (0.38) | ALDH1A1RELA | |
| SCHEMBL2318612 | 0.73 | ESR1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL756551 | 0.71 | CYP2A6 (0.32) | — | |
| SCHEMBL2257839 | 0.71 | CYP3A4 (0.50) | ALDH1A1TP53TDP1TSHR | |
| SCHEMBL29357489 | 0.70 | RELA (0.58) | ALDH1A1TP53TDP1TSHRRELA | |
| SCHEMBL2997515 | 0.70 | RELA (0.58) | ALDH1A1TP53TDP1TSHRRELA | |
| SCHEMBL110160 | 0.70 | RELA (0.58) | ALDH1A1TP53TDP1TSHRRELA | |
| SCHEMBL644725 | 0.69 | CYP2A6 (0.48) | ALDH1A1 |
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-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |