Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL7759825 | 1.00 | TSHR (0.40) | TSHRALDH1A1CYP2C19CYP2D6HIF1A | |
| SCHEMBL7761713 | 1.00 | TSHR (0.40) | TSHRALDH1A1CYP2C19CYP2D6HIF1A | |
| Butane SCHEMBL2917528 | 0.90 | TSHR (0.33) | TSHRALDH1A1CYP2C19CYP2D6HIF1A | |
| SCHEMBL11305817 | 0.77 | — | — | |
| SCHEMBL10250082 | 0.77 | — | — | |
| SCHEMBL354385 | 0.77 | — | — | |
| SCHEMBL3441122 | 0.74 | — | — | |
| SCHEMBL247459 | 0.73 | ALDH1A1 (0.35) | TSHRALDH1A1TP53 | |
| SCHEMBL64606 | 0.73 | ALDH1A1 (0.35) | TSHRALDH1A1TP53 | |
| Bicarbonate SCHEMBL28915635 | 0.73 | ALDH1A1 (0.35) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8951750-B2 | Malonate decarboxylases for industrial applications | BASF SE (DE) | 2015-02-10 | — | — | US | disclosed |