Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23943060 | 0.74 | ESR1 (0.42) | ESR1ALPLESR2 | |
| SCHEMBL20730399 | 0.71 | ESR1 (0.40) | ESR1ESR2TSHR | |
| SCHEMBL21607798 | 0.71 | HCAR2 (0.31) | — | |
| SCHEMBL29953860 | 0.70 | TSHR (0.40) | ALDH1A1TSHR | |
| SCHEMBL21607799 | 0.69 | RAB9A (0.39) | ALDH1A1TSHR | |
| SCHEMBL20730388 | 0.69 | IGF1R (0.39) | ESR1ALPLESR2 | |
| SCHEMBL29487492 | 0.68 | RRM2 (0.39) | — | |
| SCHEMBL20568376 | 0.67 | HCAR2 (0.48) | — | |
| SCHEMBL25312921 | 0.67 | NPSR1 (0.47) | ALDH1A1ALPL | |
| SCHEMBL19201524 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021210586-A1 | CONDENSED HETEROCYCLIC COMPOUND | 日産化学株式会社 | 2021-10-21 | — | — | WO | disclosed |