Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL8820043 | 0.86 | ALDH1A1 (0.43) | TSHRALDH1A1TP53 | |
| Butadiene SCHEMBL8820041 | 0.86 | ALDH1A1 (0.43) | TSHRALDH1A1TP53 | |
| Butadiene SCHEMBL9360655 | 0.78 | ALDH1A1 (0.53) | TSHRALDH1A1TP53 | |
| Butadiene SCHEMBL9360659 | 0.78 | ALDH1A1 (0.53) | TSHRALDH1A1TP53 | |
| SCHEMBL4666528 | 0.78 | TSHR (0.63) | TSHRALDH1A1 | |
| SCHEMBL4666530 | 0.78 | TSHR (0.63) | TSHRALDH1A1 | |
| Butadiene SCHEMBL9360225 | 0.78 | TSHR (0.33) | TSHR | |
| Butadiene SCHEMBL9360221 | 0.78 | TSHR (0.33) | TSHR | |
| Butadiene SCHEMBL10427368 | 0.76 | ALDH1A1 (0.56) | TSHRALDH1A1TP53 | |
| SCHEMBL1883305 | 0.76 | TSHR (0.67) | TSHRALDH1A1TP53 |
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-0630278-A1 | NON-TOXIC, ENVIRONMENTALLY BENIGN FIRE EXTINGUISHANTS | TAG INVESTMENTS INC. (CA) | 1994-12-28 | — | — | EP | claimed |
| WO-1993017758-A1 | NON-TOXIC, ENVIRONMENTALLY BENIGN FIRE EXTINGUISHANTS | TAG INVESTMENTS INC. (CA) | 1993-09-16 | — | — | WO | claimed |