Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766797 | 0.79 | — | — | |
| SCHEMBL7913331 | 0.73 | — | — | |
| SCHEMBL31707460 | 0.64 | ALDH1A1 (0.41) | ALDH1A1TP53TSHR | |
| SCHEMBL3056449 | 0.64 | — | — | |
| Chloroprene SCHEMBL9451156 | 0.59 | ALDH1A1 (0.43) | ALDH1A1TP53TSHR | |
| Chloroprene SCHEMBL11408807 | 0.59 | ALDH1A1 (0.43) | ALDH1A1TP53TSHR | |
| Chloroprene SCHEMBL20161 | 0.59 | — | — | |
| SCHEMBL28493283 | 0.56 | — | — | |
| Chloroprene SCHEMBL8180551 | 0.56 | — | — | |
| Chloroprene SCHEMBL11310256 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-61205286-A | — | — | None | — | — | JP | disclosed |
| JP-S61205286-A | BIS-SUBSTITUTED-1, 3-BUTADIENYL DERIVATIVE AND PRODUCTION THEREOF | NISSAN CHEM IND LTD | 1986-09-11 | — | — | JP | disclosed |