Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8819361 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL9360659 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL9360655 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TP53TSHR | |
| SCHEMBL4344301 | 0.97 | ALDH1A1 (0.59) | ALDH1A1TP53TSHR | |
| SCHEMBL1264689 | 0.97 | ALDH1A1 (0.59) | ALDH1A1TP53TSHR | |
| SCHEMBL11529580 | 0.97 | ALDH1A1 (0.59) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL10427368 | 0.94 | ALDH1A1 (0.56) | ALDH1A1TP53TSHR | |
| SCHEMBL10355549 | 0.91 | — | — | |
| Butadiene SCHEMBL28309305 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL8820041 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TP53TSHR |
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-1997039805-A1 | ENVIRONMENTALLY BENIGN NON-TOXIC FIRE FLOODING AGENTS | TAG INVESTMENTS INC. (CA) | 1997-10-30 | — | — | WO | disclosed |